CAS RN: 6291-25-4
CAS Name: 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1-indolyl)ethenyl]indol-1-ium
OPENEYE Name: 1,3,3-trimethyl-2-[(E)-2-(2-methylindol-1-yl)vinyl]indol-1-ium
IUPAC Name: 1,3,3-trimethyl-2-[(E)-2-(2-methylindol-1-yl)ethenyl]indol-1-ium
SYSTEMATIC NAME: 1,3,3-trimethyl-2-[(E)-2-(2-methylindol-1-yl)ethenyl]indol-1-ium
MOLECULAR FORMULA: C22H23N2+
MOLECULAR WEIGHT: 315.43142
SMILES: CC1=CC2=CC=CC=C2N1/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C
Structure:
CAS RN: 7244-14-6
CAS Name: (8E)-7-oxo-8-[(4-sulfo-1-naphthalenyl)hydrazinylidene]naphthalene-1,3-disulfonic acid
OPENEYE Name: (8E)-7-oxo-8-[(4-sulfo-1-naphthyl)hydrazono]naphthalene-1,3-disulfonic acid
IUPAC Name: (8E)-7-oxo-8-[(4-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-1,3-disulfonic acid
SYSTEMATIC NAME: (8E)-7-oxidanylidene-8-[(4-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-1,3-disulfonic acid
MOLECULAR FORMULA: C20H14N2O10S3
MOLECULAR WEIGHT: 538.52756
SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N/N=C\3/C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 915-67-3
CAS Name: (4E)-3-oxo-4-[(4-sulfo-1-naphthalenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
OPENEYE Name: (4E)-3-oxo-4-[(4-sulfo-1-naphthyl)hydrazono]naphthalene-2,7-disulfonic acid
IUPAC Name: (4E)-3-oxo-4-[(4-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (4E)-3-oxidanylidene-4-[(4-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C20H14N2O10S3
MOLECULAR WEIGHT: 538.52756
SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N/N=C/3\C4=C(C=C(C=C4)S(=O)(=O)O)C=C(C3=O)S(=O)(=O)O
Structure:
CAS RN: 642-59-1
CAS Name: (4E)-3-oxo-4-[(4-sulfo-1-naphthalenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
OPENEYE Name: (4E)-3-oxo-4-[(4-sulfo-1-naphthyl)hydrazono]naphthalene-2,7-disulfonic acid
IUPAC Name: (4E)-3-oxo-4-[(4-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: (4E)-3-oxidanylidene-4-[(4-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C20H14N2O10S3
MOLECULAR WEIGHT: 538.52756
SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N/N=C/3\C4=C(C=C(C=C4)S(=O)(=O)O)C=C(C3=O)S(=O)(=O)O
Structure:
CAS RN: 147666-81-7
CAS Name: 3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-2-benzopyran-1-one
OPENEYE Name: 3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-isochromen-1-one
IUPAC Name: 3-(3,4-dihydroxyphenyl)-6,8-dihydroxyisochromen-1-one
SYSTEMATIC NAME: 3-[3,4-bis(oxidanyl)phenyl]-6,8-bis(oxidanyl)isochromen-1-one
MOLECULAR FORMULA: C15H10O6
MOLECULAR WEIGHT: 286.2363
SMILES: C1=CC(=C(C=C1C2=CC3=CC(=CC(=C3C(=O)O2)O)O)O)O
Structure:
CAS RN: 74794-53-9
CAS Name: 8-hydroxy-3-phenyl-2-benzopyran-1-one
OPENEYE Name: 8-hydroxy-3-phenyl-isochromen-1-one
IUPAC Name: 8-hydroxy-3-phenylisochromen-1-one
SYSTEMATIC NAME: 8-oxidanyl-3-phenyl-isochromen-1-one
MOLECULAR FORMULA: C15H10O3
MOLECULAR WEIGHT: 238.2381
SMILES: C1=CC=C(C=C1)C2=CC3=C(C(=CC=C3)O)C(=O)O2
Structure:
CAS RN: 143483-85-6
CAS Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[[4-[[2-(dimethylamino)-1-oxoethyl]amino]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-N-[2-(2-pyridinyl)ethyl]-20,39-di
OPENEYE Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[4-[[2-(dimethylamino)acetyl]amino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-21,25-dioxo-N-[2-(2-pyridyl)ethyl]-2
IUPAC Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[4-[[2-(dimethylamino)acetyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-N-(2-pyridin-2-ylethyl)-20,39-dioxabicyc
SYSTEMATIC NAME: (4E,6E,8E,10Z,12Z,14E,16E)-3-[4-[2-(dimethylamino)ethanoylamino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18-methyl-19-[7-[4-(methylamino)phenyl]-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-23,27,29,31,33,35,37-heptakis(oxidanyl)-21,25-bis(oxidanylidene)-N-(2-
MOLECULAR FORMULA: C70H101N5O19
MOLECULAR WEIGHT: 1316.57304
SMILES: CC1/C=C/C=C/C=C\C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCC4=CC=CC=N4)OC5C(C(C(C(O5)C)O)NC(=O)CN(C)C)O
Structure:
CAS RN: 143483-86-7
CAS Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[[3,5-dihydroxy-6-methyl-4-[[1-oxo-3-(1-piperidinyl)propyl]amino]-2-oxanyl]oxy]-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-N-[2-(2-pyridinyl)ethyl]-20,39-d
OPENEYE Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[3,5-dihydroxy-6-methyl-4-[3-(1-piperidyl)propanoylamino]tetrahydropyran-2-yl]oxy-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-21,25-dioxo-N-[2-(2-pyridyl)ethyl]-20,
IUPAC Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[3,5-dihydroxy-6-methyl-4-(3-piperidin-1-ylpropanoylamino)oxan-2-yl]oxy-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-N-(2-pyridin-2-ylethyl)-20,39-dioxabicyc
SYSTEMATIC NAME: (4E,6E,8E,10Z,12Z,14E,16E)-18-methyl-19-[7-[4-(methylamino)phenyl]-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-3-[6-methyl-3,5-bis(oxidanyl)-4-(3-piperidin-1-ylpropanoylamino)oxan-2-yl]oxy-23,27,29,31,33,35,37-heptakis(oxidanyl)-21,25-bis(oxidanylidene)-N-(2-
MOLECULAR FORMULA: C74H107N5O19
MOLECULAR WEIGHT: 1370.66348
SMILES: CC1/C=C/C=C/C=C\C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCC4=CC=CC=N4)OC5C(C(C(C(O5)C)O)NC(=O)CCN6CCCCC6)O
Structure:
CAS RN: 143483-77-6
CAS Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[[3,5-dihydroxy-6-methyl-4-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-2-oxanyl]oxy]-N-[2-(dimethylamino)ethyl]-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dio
OPENEYE Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[3,5-dihydroxy-6-methyl-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]tetrahydropyran-2-yl]oxy-N-[2-(dimethylamino)ethyl]-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-2
IUPAC Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[3,5-dihydroxy-6-methyl-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]oxan-2-yl]oxy-N-[2-(dimethylamino)ethyl]-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-20,3
SYSTEMATIC NAME: (4E,6E,8E,10Z,12Z,14E,16E)-N-[2-(dimethylamino)ethyl]-18-methyl-19-[7-[4-(methylamino)phenyl]-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-3-[6-methyl-4-[2-(4-methylpiperazin-1-yl)ethanoylamino]-3,5-bis(oxidanyl)oxan-2-yl]oxy-23,27,29,31,33,35,37-heptakis(oxid
MOLECULAR FORMULA: C70H108N6O19
MOLECULAR WEIGHT: 1337.63532
SMILES: CC1/C=C/C=C/C=C\C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)OC4C(C(C(C(O4)C)O)NC(=O)CN5CCN(CC5)C)O
Structure:
CAS RN: 143483-81-2
CAS Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[[3,5-dihydroxy-4-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]-6-methyl-2-oxanyl]oxy]-N-[2-(dimethylamino)ethyl]-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl
OPENEYE Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[3,5-dihydroxy-4-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-6-methyl-tetrahydropyran-2-yl]oxy-N-[2-(dimethylamino)ethyl]-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-
IUPAC Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[3,5-dihydroxy-4-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-6-methyloxan-2-yl]oxy-N-[2-(dimethylamino)ethyl]-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-
SYSTEMATIC NAME: (4E,6E,8E,10Z,12Z,14E,16E)-N-[2-(dimethylamino)ethyl]-3-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanoylamino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18-methyl-19-[7-[4-(methylamino)phenyl]-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-23,27,29,31,33,35,37-hep
MOLECULAR FORMULA: C71H110N6O20
MOLECULAR WEIGHT: 1367.6613
SMILES: CC1/C=C/C=C/C=C\C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)OC4C(C(C(C(O4)C)O)NC(=O)CN5CCN(CC5)CCO)O
Structure:
CAS RN: 137042-33-2
CAS Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-N-[2-(2-pyridinyl)ethyl]-20,39-dioxabicyclo[33.3.1]nonatriaconta-
OPENEYE Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-21,25-dioxo-N-[2-(2-pyridyl)ethyl]-20,39-dioxabicyclo[33.3.1]no
IUPAC Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-N-(2-pyridin-2-ylethyl)-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6
SYSTEMATIC NAME: (4E,6E,8E,10Z,12Z,14E,16E)-3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18-methyl-19-[7-[4-(methylamino)phenyl]-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-23,27,29,31,33,35,37-heptakis(oxidanyl)-21,25-bis(oxidanylidene)-N-(2-pyridin-2-ylethyl)-20,39-d
MOLECULAR FORMULA: C66H94N4O18
MOLECULAR WEIGHT: 1231.46856
SMILES: CC1/C=C/C=C/C=C\C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCC4=CC=CC=N4)OC5C(C(C(C(O5)C)O)N)O
Structure:
CAS RN: 137042-39-8
CAS Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-38-[4-morpholinyl(oxo)methyl]-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,1
OPENEYE Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-38-(morpholine-4-carbonyl)-20,39-dioxabicyclo[33.3.1]nonatriaco
IUPAC Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-38-(morpholine-4-carbonyl)-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,
SYSTEMATIC NAME: (4E,6E,8E,10Z,12Z,14E,16E)-3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18-methyl-19-[7-[4-(methylamino)phenyl]-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-38-morpholin-4-ylcarbonyl-23,27,29,31,33,35,37-heptakis(oxidanyl)-20,39-dioxabicyclo[33.3.1]nona
MOLECULAR FORMULA: C63H93N3O19
MOLECULAR WEIGHT: 1196.42122
SMILES: CC1/C=C/C=C/C=C\C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)N4CCOCC4)OC5C(C(C(C(O5)C)O)N)O
Structure:
CAS RN: 137042-36-5
CAS Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-N-[2-(1-piperidinyl)ethyl]-20,39-dioxabicyclo[33.3.1]nonatriacont
OPENEYE Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-21,25-dioxo-N-[2-(1-piperidyl)ethyl]-20,39-dioxabicyclo[33.3.1]
IUPAC Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-21,25-dioxo-N-(2-piperidin-1-ylethyl)-20,39-dioxabicyclo[33.3.1]nonatriaconta-4
SYSTEMATIC NAME: (4E,6E,8E,10Z,12Z,14E,16E)-3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18-methyl-19-[7-[4-(methylamino)phenyl]-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-23,27,29,31,33,35,37-heptakis(oxidanyl)-21,25-bis(oxidanylidene)-N-(2-piperidin-1-ylethyl)-20,39
MOLECULAR FORMULA: C66H100N4O18
MOLECULAR WEIGHT: 1237.5162
SMILES: CC1/C=C/C=C/C=C\C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN4CCCCC4)OC5C(C(C(C(O5)C)O)N)O
Structure:
CAS RN: 137042-51-4
CAS Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-N-[2-(4-morpholinyl)ethyl]-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriacont
OPENEYE Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-N-(2-morpholinoethyl)-21,25-dioxo-20,39-dioxabicyclo[33.3.1]non
IUPAC Name: (4E,6E,8E,10Z,12Z,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-23,27,29,31,33,35,37-heptahydroxy-19-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-N-(2-morpholin-4-ylethyl)-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4
SYSTEMATIC NAME: (4E,6E,8E,10Z,12Z,14E,16E)-3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18-methyl-19-[7-[4-(methylamino)phenyl]-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-N-(2-morpholin-4-ylethyl)-23,27,29,31,33,35,37-heptakis(oxidanyl)-21,25-bis(oxidanylidene)-20,39
MOLECULAR FORMULA: C65H98N4O19
MOLECULAR WEIGHT: 1239.48902
SMILES: CC1/C=C/C=C/C=C\C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN4CCOCC4)OC5C(C(C(C(O5)C)O)N)O
Structure:
CAS RN: 287965-29-1
CAS Name: (5Z)-3-bromo-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-(3-chloro-4-hydroxyphenyl)-2-furanone
OPENEYE Name: (5Z)-3-bromo-5-[(3-bromo-4-hydroxy-phenyl)methylene]-4-(3-chloro-4-hydroxy-phenyl)furan-2-one
IUPAC Name: (5Z)-3-bromo-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-(3-chloro-4-hydroxyphenyl)furan-2-one
SYSTEMATIC NAME: (5Z)-3-bromanyl-5-[(3-bromanyl-4-oxidanyl-phenyl)methylidene]-4-(3-chloranyl-4-oxidanyl-phenyl)furan-2-one
MOLECULAR FORMULA: C17H9Br2ClO4
MOLECULAR WEIGHT: 472.51196
SMILES: C1=CC(=C(C=C1/C=C\2/C(=C(C(=O)O2)Br)C3=CC(=C(C=C3)O)Cl)Br)O
Structure:
CAS RN: 133740-20-2
CAS Name: 9,10-dihydroxy-5,7-dimethoxy-3-methyl-1-benzo[g][2]benzopyranone
OPENEYE Name: 9,10-dihydroxy-5,7-dimethoxy-3-methyl-benzo[g]isochromen-1-one
IUPAC Name: 9,10-dihydroxy-5,7-dimethoxy-3-methylbenzo[g]isochromen-1-one
SYSTEMATIC NAME: 5,7-dimethoxy-3-methyl-9,10-bis(oxidanyl)benzo[g]isochromen-1-one
MOLECULAR FORMULA: C16H14O6
MOLECULAR WEIGHT: 302.27876
SMILES: CC1=CC2=C(C3=CC(=CC(=C3C(=C2C(=O)O1)O)O)OC)OC
Structure:
CAS RN: 117428-13-4
CAS Name: (E)-3-methoxy-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-methoxy-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enoate
IUPAC Name: methyl (E)-3-methoxy-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-methoxy-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enoate
MOLECULAR FORMULA: C19H17F3O4
MOLECULAR WEIGHT: 366.33109
SMILES: CO/C=C(\C1=CC=CC=C1COC2=CC=CC(=C2)C(F)(F)F)/C(=O)OC
Structure:
CAS RN: 59973-80-7
CAS Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]acetic acid
OPENEYE Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]acetic acid
IUPAC Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid
MOLECULAR FORMULA: C20H17FO4S
MOLECULAR WEIGHT: 372.409983
SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O
Structure:
CAS RN: 59864-04-9
CAS Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]acetic acid
OPENEYE Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]acetic acid
IUPAC Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid
MOLECULAR FORMULA: C20H17FO4S
MOLECULAR WEIGHT: 372.409983
SMILES: CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O
Structure:
CAS RN: 25111-96-0
CAS Name: (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone
OPENEYE Name: (4E)-4-[[4-(dimethylamino)phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one
IUPAC Name: (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
SYSTEMATIC NAME: (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C19H19N3O
MOLECULAR WEIGHT: 305.37366
SMILES: CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3
Structure:
CAS RN: 101001-09-6
CAS Name: (3Z)-3-[(4-chlorophenyl)methylidene]-1-benzothiopyran-4-one
OPENEYE Name: (3Z)-3-[(4-chlorophenyl)methylene]thiochroman-4-one
IUPAC Name: (3Z)-3-[(4-chlorophenyl)methylidene]thiochromen-4-one
SYSTEMATIC NAME: (3Z)-3-[(4-chlorophenyl)methylidene]thiochromen-4-one
MOLECULAR FORMULA: C16H11ClOS
MOLECULAR WEIGHT: 286.77594
SMILES: C1/C(=C\C2=CC=C(C=C2)Cl)/C(=O)C3=CC=CC=C3S1
Structure:
CAS RN: 211307-52-7
CAS Name: 2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-8,8-dimethyl-4-pyrano[2,3-h][1]benzopyranone
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-8,8-dimethyl-pyrano[2,3-h]chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-8,8-dimethyl-3,5-bis(oxidanyl)pyrano[2,3-h]chromen-4-one
MOLECULAR FORMULA: C30H32O7
MOLECULAR WEIGHT: 504.57088
SMILES: CC(=CCC/C(=C/CC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC(=C(C2=O)O)C4=CC(=C(C=C4)O)O)O)/C)C
Structure:
CAS RN: 72944-19-5
CAS Name: (E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
IUPAC Name: (E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3,5-bis(3-methylbut-2-enyl)-4-oxidanyl-phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C19H24O3
MOLECULAR WEIGHT: 300.39206
SMILES: CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)/C=C/C(=O)O)C
Structure:
CAS RN: 26230-27-3
CAS Name: (1E,3E)-3-[(hydroxyamino)methylidene]-5-methoxy-4-oxo-1-cyclohexa-1,5-dienecarboxaldehyde oxime
OPENEYE Name: (1E,3E)-3-[(hydroxyamino)methylene]-5-methoxy-4-oxo-cyclohexa-1,5-diene-1-carbaldehyde oxime
IUPAC Name: (6E)-6-[(hydroxyamino)methylidene]-4-[(E)-hydroxyiminomethyl]-2-methoxycyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-4-[(E)-hydroxyiminomethyl]-2-methoxy-6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: COC1=CC(=C/C(=C\NO)/C1=O)/C=N/O
Structure:
CAS RN: 126433-42-9
CAS Name: (3Z)-5-iodo-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one
OPENEYE Name: (3Z)-5-iodo-3-(3-oxoindolin-2-ylidene)indolin-2-one
IUPAC Name: (3Z)-5-iodo-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one
SYSTEMATIC NAME: (3Z)-5-iodanyl-3-(3-oxidanylidene-1H-indol-2-ylidene)-1H-indol-2-one
MOLECULAR FORMULA: C16H9IN2O2
MOLECULAR WEIGHT: 388.15933
SMILES: C1=CC=C2C(=C1)C(=O)/C(=C/3\C4=C(C=CC(=C4)I)NC3=O)/N2
Structure:
CAS RN: 67905-40-2
CAS Name: 3-methyl-3-[(E)-2-(2,6,6-trimethyl-1-cyclohex-2-enyl)ethenyl]-2-oxiranecarboxylic acid methyl ester
OPENEYE Name: methyl 3-methyl-3-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)vinyl]oxirane-2-carboxylate
IUPAC Name: methyl 3-methyl-3-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]oxirane-2-carboxylate
SYSTEMATIC NAME: methyl 3-methyl-3-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]oxirane-2-carboxylate
MOLECULAR FORMULA: C16H24O3
MOLECULAR WEIGHT: 264.35996
SMILES: CC1=CCCC(C1/C=C/C2(C(O2)C(=O)OC)C)(C)C
Structure:
CAS RN: 11052-72-5
CAS Name: (1R,4S,5E,5'R,6'R,7E,10S,11R,12R,14R,15R,16S,18R,19S,20R,21E,25S,26R,27S,29S)-4-ethyl-11,15,19-trihydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
OPENEYE Name: (1R,4S,5E,5'R,6'R,7E,10S,11R,12R,14R,15R,16S,18R,19S,20R,21E,25S,26R,27S,29S)-4-ethyl-11,15,19-trihydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,26,29-nonamethyl-spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-tetrahydropyran]-13,17,23-tri
IUPAC Name: (1R,4S,5E,5'R,6'R,7E,10S,11R,12R,14R,15R,16S,18R,19S,20R,21E,25S,26R,27S,29S)-4-ethyl-11,15,19-trihydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
SYSTEMATIC NAME: (1R,4S,5E,5'R,6'R,7E,10S,11R,12R,14R,15R,16S,18R,19S,20R,21E,25S,26R,27S,29S)-4-ethyl-5',10,12,14,16,18,20,26,29-nonamethyl-11,15,19-tris(oxidanyl)-6'-(2-oxidanylpropyl)spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
MOLECULAR FORMULA: C45H74O10
MOLECULAR WEIGHT: 775.06306
SMILES: CC[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)CC[C@H]([C@H](O3)CC(C)O)C)C)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@H]([C@@H]([C@H](C/C=C/C=C1)C)O)C)C)O)C)C)O)C)C
Structure:
CAS RN: 579-13-5
CAS Name: (1R,4S,5E,5'R,6'R,7E,10S,11R,12S,14R,15S,16S,18R,19S,20R,21E,25S,26R,27S,29S)-4-ethyl-11,12,15,19-tetrahydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
OPENEYE Name: (1R,4S,5E,5'R,6'R,7E,10S,11R,12S,14R,15S,16S,18R,19S,20R,21E,25S,26R,27S,29S)-4-ethyl-11,12,15,19-tetrahydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,26,29-nonamethyl-spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-tetrahydropyran]-13,17,2
IUPAC Name: (1R,4S,5E,5'R,6'R,7E,10S,11R,12S,14R,15S,16S,18R,19S,20R,21E,25S,26R,27S,29S)-4-ethyl-11,12,15,19-tetrahydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
SYSTEMATIC NAME: (1R,4S,5E,5'R,6'R,7E,10S,11R,12S,14R,15S,16S,18R,19S,20R,21E,25S,26R,27S,29S)-4-ethyl-5',10,12,14,16,18,20,26,29-nonamethyl-11,12,15,19-tetrakis(oxidanyl)-6'-(2-oxidanylpropyl)spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-tr
MOLECULAR FORMULA: C45H74O11
MOLECULAR WEIGHT: 791.06246
SMILES: CC[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)CC[C@H]([C@H](O3)CC(C)O)C)C)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@]([C@@H]([C@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C
Structure:
CAS RN: 36998-77-3
CAS Name: (E)-1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one
MOLECULAR FORMULA: C16H11ClN2O
MOLECULAR WEIGHT: 282.72434
SMILES: C1=CC=C2C(=C1)NC(=N2)C(=O)/C=C/C3=CC=C(C=C3)Cl
Structure:
CAS RN: 31908-49-3
CAS Name: [(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methanol
OPENEYE Name: [(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methanol
IUPAC Name: [(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methanol
SYSTEMATIC NAME: [(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methanol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\C)/CCC=C(C)C)CO)/C)/C)C
Structure:
CAS RN: 66609-69-6
CAS Name: (E)-3-phenyl-2-propenoic acid [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] ester
OPENEYE Name: [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C39H56O2
MOLECULAR WEIGHT: 556.86074
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C6=CC=CC=C6)C)C
Structure:
CAS RN: 7380-40-7
CAS Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
IUPAC Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
SYSTEMATIC NAME: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C21H22O4
MOLECULAR WEIGHT: 338.39698
SMILES: CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C
Structure:
CAS RN: 125287-06-1
CAS Name: (1S,3R)-2,2-dimethyl-4-methylene-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1-cyclohexanol
OPENEYE Name: (1S,3R)-2,2-dimethyl-4-methylene-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexanol
IUPAC Name: (1S,3R)-2,2-dimethyl-4-methylidene-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexan-1-ol
SYSTEMATIC NAME: (1S,3R)-2,2-dimethyl-4-methylidene-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexan-1-ol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC[C@@H]1C(=C)CC[C@@H](C1(C)C)O)/C)/C)C
Structure:
CAS RN: 182052-13-7
CAS Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6,8-tris(3-methylbut-2-enyl)-1-benzopyran-4-one
OPENEYE Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6,8-tris(3-methylbut-2-enyl)chromen-4-one
IUPAC Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,6,8-tris(3-methylbut-2-enyl)chromen-4-one
SYSTEMATIC NAME: 2-[2,4-bis(oxidanyl)phenyl]-3,6,8-tris(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C30H34O6
MOLECULAR WEIGHT: 490.58736
SMILES: CC(=CCC1=C(C2=C(C(=C1O)CC=C(C)C)OC(=C(C2=O)CC=C(C)C)C3=C(C=C(C=C3)O)O)O)C
Structure:
CAS RN: 182052-09-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H30O6
MOLECULAR WEIGHT: 486.5556
SMILES: CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C(OC5=C4C=CC(=C5)O)C=C(C)C)O)C=CC(O2)(C)C)C
Structure:
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