CAS RN: 125051-66-3
CAS Name: 2-[(9Z)-21,24-bis(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-[(3-hydroxy-1-oxotetradecyl)amino]-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-
OPENEYE Name: 2-[(9Z)-21,24-bis(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxy-ethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hy
IUPAC Name: 2-[(9Z)-21,24-bis(2-aminoethyl)-15-(3-aminopropyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hyd
SYSTEMATIC NAME: 2-[(9Z)-21,24-bis(2-azanylethyl)-15-(3-azanylpropyl)-3-(2-chloranyl-1-oxidanyl-ethyl)-9-ethylidene-12-(1-hydroxyethyl)-18-(2-hydroxyethyl)-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-27-(3-oxidanyltetradecanoylamino)-1-oxa-4,7,10,13,16,19,22,25-octazac
MOLECULAR FORMULA: C50H87ClN12O18
MOLECULAR WEIGHT: 1179.74838
SMILES: CCCCCCCCCCCC(CC(=O)NC1COC(=O)C(NC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CCN)CCO)CCCN)C(C)O)C(C(=O)O)O)C(CCl)O)O
Structure:
CAS RN: 124783-68-2
CAS Name: (2E)-2-[7-bromo-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]acetamide
OPENEYE Name: (2E)-2-[7-bromo-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]acetamide
IUPAC Name: (2E)-2-[7-bromo-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]acetamide
SYSTEMATIC NAME: (2E)-2-[7-bromanyl-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]ethanamide
MOLECULAR FORMULA: C18H15BrFN3O
MOLECULAR WEIGHT: 388.233603
SMILES: CN1/C(=C/C(=O)N)/CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3F
Structure:
CAS RN: 124449-74-7
CAS Name: disodium (2E)-5-(4-bromophenyl)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-3,6-dihydro-1,3,4-oxadiazin-6-olate
OPENEYE Name: disodium (2E)-5-(4-bromophenyl)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylene]-3,6-dihydro-1,3,4-oxadiazin-6-olate
IUPAC Name: disodium (2E)-5-(4-bromophenyl)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-3,6-dihydro-1,3,4-oxadiazin-6-olate
SYSTEMATIC NAME: disodium (2E)-2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methylidene]-5-(4-bromophenyl)-3,6-dihydro-1,3,4-oxadiazin-6-olate
MOLECULAR FORMULA: C14H10BrN4Na2O4+
MOLECULAR WEIGHT: 424.13714
SMILES: C1=CC(=CC=C1C2=NN/C(=C\C3=CNC(=O)NC3=O)/OC2[O-])Br.[Na+].[Na+]
Structure:
CAS RN: 11006-22-7
CAS Name: (3E,5E,7E,9E,11E,29E)-32-butan-2-yl-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
OPENEYE Name: (3E,5E,7E,9E,11E,29E)-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-32-sec-butyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
IUPAC Name: (3E,5E,7E,9E,11E,29E)-32-butan-2-yl-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
SYSTEMATIC NAME: (3E,5E,7E,9E,11E,29E)-32-butan-2-yl-15,31-dimethyl-14,16,18,20,22,24,26,28-octakis(oxidanyl)-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
MOLECULAR FORMULA: C37H60O10
MOLECULAR WEIGHT: 664.8663
SMILES: CCC(C)C1C(/C=C/C(CC(CC(CC(CC(CC(CC(C(C(C/C=C/C=C/C=C/C=C/C=C/C(=O)O1)O)C)O)O)O)O)O)O)O)C
Structure:
CAS RN: 123166-68-7
CAS Name: (3E,5E,7E,9E,11E,29E)-32-butan-2-yl-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
OPENEYE Name: (3E,5E,7E,9E,11E,29E)-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-32-sec-butyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
IUPAC Name: (3E,5E,7E,9E,11E,29E)-32-butan-2-yl-14,16,18,20,22,24,26,28-octahydroxy-15,31-dimethyl-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
SYSTEMATIC NAME: (3E,5E,7E,9E,11E,29E)-32-butan-2-yl-15,31-dimethyl-14,16,18,20,22,24,26,28-octakis(oxidanyl)-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one
MOLECULAR FORMULA: C37H60O10
MOLECULAR WEIGHT: 664.8663
SMILES: CCC(C)C1C(/C=C/C(CC(CC(CC(CC(CC(CC(C(C(C/C=C/C=C/C=C/C=C/C=C/C(=O)O1)O)C)O)O)O)O)O)O)O)C
Structure:
CAS RN: 123036-23-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H73N3O12
MOLECULAR WEIGHT: 980.19172
SMILES: C[C@H]1/C=C/C=C(\C2=NC3=C(O2)C4=C(C5=C(C(=C4OC(=O)C(C)(C)C)C)O[C@@](C5=O)(O/C=C/[C@@H]([C@H]([C@@H]([C@@H]([C@@H](C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C3N6CCN(CC6)CC7=C(C=C(C=C7C)C)C)O)/C
Structure:
CAS RN: 122958-60-5
CAS Name: (3S,6S,9S,12S,18S,24S,27S,30S,33R)-18-[(1R)-1-hydroxyethyl]-21-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,7,13,16,22,25,31-heptamethyl-6,9,12,27,30-pentakis(2-methylpropyl)-24,33-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-
OPENEYE Name: (3S,6S,9S,12S,18S,24S,27S,30S,33R)-18-[(1R)-1-hydroxyethyl]-21-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,12,27,30-pentaisobutyl-24,33-diisopropyl-3,7,13,16,22,25,31-heptamethyl-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-2,5,8,11,14,17
IUPAC Name: (3S,6S,9S,12S,18S,24S,27S,30S,33R)-18-[(1R)-1-hydroxyethyl]-21-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,7,13,16,22,25,31-heptamethyl-6,9,12,27,30-pentakis(2-methylpropyl)-24,33-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-
SYSTEMATIC NAME: (3S,6S,9S,12S,18S,24S,27S,30S,33R)-3,7,13,16,22,25,31-heptamethyl-21-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,12,27,30-pentakis(2-methylpropyl)-18-[(1R)-1-oxidanylethyl]-24,33-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriaconta
MOLECULAR FORMULA: C64H114N10O14
MOLECULAR WEIGHT: 1247.64856
SMILES: C/C=C/C[C@@H](C)[C@H](C1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)CC(C)C)C)C(C)C)C)CC(C)C)C)CC(C)C)CC(C)C)C)C)[C@@H](C)O)O
Structure:
CAS RN: 138240-77-4
CAS Name: (3S,6S,9S,12S,18S,24S,27S,30S,33R)-18-[(1R)-1-hydroxyethyl]-21-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,7,13,16,22,25,31-heptamethyl-6,9,12,27,30-pentakis(2-methylpropyl)-24,33-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-
OPENEYE Name: (3S,6S,9S,12S,18S,24S,27S,30S,33R)-18-[(1R)-1-hydroxyethyl]-21-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,12,27,30-pentaisobutyl-24,33-diisopropyl-3,7,13,16,22,25,31-heptamethyl-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-2,5,8,11,14,17
IUPAC Name: (3S,6S,9S,12S,18S,24S,27S,30S,33R)-18-[(1R)-1-hydroxyethyl]-21-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,7,13,16,22,25,31-heptamethyl-6,9,12,27,30-pentakis(2-methylpropyl)-24,33-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-
SYSTEMATIC NAME: (3S,6S,9S,12S,18S,24S,27S,30S,33R)-3,7,13,16,22,25,31-heptamethyl-21-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,12,27,30-pentakis(2-methylpropyl)-18-[(1R)-1-oxidanylethyl]-24,33-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriaconta
MOLECULAR FORMULA: C64H114N10O14
MOLECULAR WEIGHT: 1247.64856
SMILES: C/C=C/C[C@@H](C)[C@H](C1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)CC(C)C)C)C(C)C)C)CC(C)C)C)CC(C)C)CC(C)C)C)C)[C@@H](C)O)O
Structure:
CAS RN: 122856-29-5
CAS Name: cyclohexanecarboxylic acid [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] ester
OPENEYE Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] cyclohexanecarboxylate
IUPAC Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] cyclohexanecarboxylate
SYSTEMATIC NAME: [3-[(1E,3E,9E)-8-(2-azanylethyl)-10-(3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-5,8-bis(oxidanyl)-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] cyclohexanecarboxylate
MOLECULAR FORMULA: C32H50NO10P
MOLECULAR WEIGHT: 639.713861
SMILES: CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCC(C2)OC(=O)C3CCCCC3)O)OP(=O)(O)O)O
Structure:
CAS RN: 122289-05-8
CAS Name: (2R,3S,4S,5Z)-2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
OPENEYE Name: (2R,3S,4S,5Z)-2-(6-aminopurin-9-yl)-5-(fluoromethylene)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3S,4S,5Z)-2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4S,5Z)-2-(6-aminopurin-9-yl)-5-(fluoranylmethylidene)oxolane-3,4-diol
MOLECULAR FORMULA: C10H10FN5O3
MOLECULAR WEIGHT: 267.216503
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@H]([C@@H](/C(=C/F)/O3)O)O
Structure:
CAS RN: 119110-36-0
CAS Name: 2-[5-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-4-hydroxy-2,3-dimethoxy-6-methylphenoxy]acetic acid 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl ester
OPENEYE Name: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-[5-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-4-hydroxy-2,3-dimethoxy-6-methyl-phenoxy]acetate
IUPAC Name: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-[5-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-4-hydroxy-2,3-dimethoxy-6-methylphenoxy]acetate
SYSTEMATIC NAME: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-[5-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-2,3-dimethoxy-6-methyl-4-oxidanyl-phenoxy]ethanoate
MOLECULAR FORMULA: C70H102N4O9
MOLECULAR WEIGHT: 1143.58028
SMILES: CC1=C(C(=C(C(=C1OCC(=O)OCCN(C)C2=CC=C(C3=NON=C23)[N+](=O)[O-])OC)OC)O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CCC=C(C)C
Structure:
CAS RN: 118804-11-8
CAS Name: 1,8-dihydroxy-10-[(2E,4E)-1-oxohexa-2,4-dienyl]-10H-anthracen-9-one
OPENEYE Name: 10-[(2E,4E)-hexa-2,4-dienoyl]-1,8-dihydroxy-10H-anthracen-9-one
IUPAC Name: 10-[(2E,4E)-hexa-2,4-dienoyl]-1,8-dihydroxy-10H-anthracen-9-one
SYSTEMATIC NAME: 10-[(2E,4E)-hexa-2,4-dienoyl]-1,8-bis(oxidanyl)-10H-anthracen-9-one
MOLECULAR FORMULA: C20H16O4
MOLECULAR WEIGHT: 320.33864
SMILES: C/C=C/C=C/C(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O
Structure:
CAS RN: 118578-43-1
CAS Name: [(E,2S,3R)-3-hydroxy-2-[[1-oxo-12-(1-pyrenylsulfonylamino)dodecyl]amino]heptadec-4-enyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(E,2S,3R)-3-hydroxy-2-[12-(pyren-1-ylsulfonylamino)dodecanoylamino]heptadec-4-enyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(E,2S,3R)-3-hydroxy-2-[12-(pyren-1-ylsulfonylamino)dodecanoylamino]heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(E,2S,3R)-3-oxidanyl-2-[12-(pyren-1-ylsulfonylamino)dodecanoylamino]heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C50H78N3O8PS
MOLECULAR WEIGHT: 912.208381
SMILES: CCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCNS(=O)(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O
Structure:
CAS RN: 118492-04-9
CAS Name: (Z)-2-amino-5-phosphono-3-pentenoic acid
OPENEYE Name: (Z)-2-amino-5-phosphono-pent-3-enoic acid
IUPAC Name: (Z)-2-amino-5-phosphonopent-3-enoic acid
SYSTEMATIC NAME: (Z)-2-azanyl-5-phosphono-pent-3-enoic acid
MOLECULAR FORMULA: C5H10NO5P
MOLECULAR WEIGHT: 195.110361
SMILES: C(/C=C\C(C(=O)O)N)P(=O)(O)O
Structure:
CAS RN: 118090-17-8
CAS Name: (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-9-octadecenamide
OPENEYE Name: (Z)-N-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl]octadec-9-enamide
IUPAC Name: (Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]octadec-9-enamide
SYSTEMATIC NAME: (Z)-N-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]octadec-9-enamide
MOLECULAR FORMULA: C28H48N2O3
MOLECULAR WEIGHT: 460.69232
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCC1=CC(=C(C=C1)OCCN)OC
Structure:
CAS RN: 117869-71-3
CAS Name: acetic acid [(E,6R)-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-meth
OPENEYE Name: [(E,5R)-5-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimet
IUPAC Name: [(E,6R)-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3
SYSTEMATIC NAME: [(E,6R)-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-3,16-bis(oxidanyl)-11-oxidanylidene-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-6-o
MOLECULAR FORMULA: C38H58O13
MOLECULAR WEIGHT: 722.85932
SMILES: CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H]([C@H](C4(C)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O
Structure:
CAS RN: 110261-29-5
CAS Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-azepanone
OPENEYE Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]azepan-2-one
IUPAC Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]azepan-2-one
SYSTEMATIC NAME: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]azepan-2-one
MOLECULAR FORMULA: C16H27NO
MOLECULAR WEIGHT: 249.39168
SMILES: CC(=CCC/C(=C/CN1CCCCCC1=O)/C)C
Structure:
CAS RN: 117694-76-5
CAS Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-azepanone
OPENEYE Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]azepan-2-one
IUPAC Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]azepan-2-one
SYSTEMATIC NAME: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]azepan-2-one
MOLECULAR FORMULA: C16H27NO
MOLECULAR WEIGHT: 249.39168
SMILES: CC(=CCC/C(=C/CN1CCCCCC1=O)/C)C
Structure:
CAS RN: 117278-74-7
CAS Name: 5-[(E)-3-[3,5-dimethoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]pentanoic acid
OPENEYE Name: 5-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]allyloxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentanoic acid
IUPAC Name: 5-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
SYSTEMATIC NAME: 3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[(E)-3-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-dimethoxy-phenyl]prop-2-enoxy]-3-methyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C29H42O18
MOLECULAR WEIGHT: 678.63298
SMILES: CC(CC(=O)O)(CC(=O)OC/C=C/C1=CC(=C(C(=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 116988-91-1
CAS Name: (Z)-2-methyl-2-butenoic acid [3-hydroxy-1-[(9-methoxy-7-oxo-4-furo[3,2-g][1]benzopyranyl)oxy]-3-methylbutan-2-yl] ester
OPENEYE Name: [2-hydroxy-1-[(9-methoxy-7-oxo-furo[3,2-g]chromen-4-yl)oxymethyl]-2-methyl-propyl] (Z)-2-methylbut-2-enoate
IUPAC Name: [3-hydroxy-1-(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)oxy-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [1-(9-methoxy-7-oxidanylidene-furo[3,2-g]chromen-4-yl)oxy-3-methyl-3-oxidanyl-butan-2-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C22H24O8
MOLECULAR WEIGHT: 416.42116
SMILES: C/C=C(/C)\C(=O)OC(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C(C)(C)O
Structure:
CAS RN: 116425-30-0
CAS Name: (1R,4aR,5R,8R,8aR)-8-benzoyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a-methyl-6-methylene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester
OPENEYE Name: methyl (1R,4aR,5R,8R,8aR)-8-benzoyloxy-5-[(E)-5-hydroxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylene-decalin-1-carboxylate
IUPAC Name: methyl (1R,4aR,5R,8R,8aR)-8-benzoyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
SYSTEMATIC NAME: methyl (1R,4aR,5R,8R,8aR)-4a-methyl-6-methylidene-5-[(E)-3-methyl-5-oxidanyl-pent-3-enyl]-8-(phenylcarbonyloxy)-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
MOLECULAR FORMULA: C27H36O5
MOLECULAR WEIGHT: 440.57174
SMILES: C/C(=C\CO)/CC[C@@H]1C(=C)C[C@H]([C@H]2[C@@]1(CCC[C@H]2C(=O)OC)C)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 115939-25-8
CAS Name: (2R)-2-[(E)-3-[(2R,3R)-3-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-oxomethyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-4-yl]-1-oxoprop-2-enoxy]-3-(3,4-dihydroxyphenyl)propanoic acid
OPENEYE Name: (2R)-2-[(E)-3-[(2R,3R)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
IUPAC Name: (2R)-2-[(E)-3-[(2R,3R)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
SYSTEMATIC NAME: (2R)-3-[3,4-bis(oxidanyl)phenyl]-2-[(E)-3-[(2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-3-[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxycarbonyl-7-oxidanyl-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-propanoic acid
MOLECULAR FORMULA: C36H30O16
MOLECULAR WEIGHT: 718.6138
SMILES: C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@H]([C@@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O
Structure:
CAS RN: 115185-86-9
CAS Name: (E)-4-bromo-2-octenoic acid
OPENEYE Name: (E)-4-bromooct-2-enoic acid
IUPAC Name: (E)-4-bromooct-2-enoic acid
SYSTEMATIC NAME: (E)-4-bromanyloct-2-enoic acid
MOLECULAR FORMULA: C8H13BrO2
MOLECULAR WEIGHT: 221.09162
SMILES: CCCCC(/C=C/C(=O)O)Br
Structure:
CAS RN: 115021-84-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H56O10
MOLECULAR WEIGHT: 696.86664
SMILES: C/C=C(\C)/[C@@H]1[C@H](C[C@H]([C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5OC)COC(=O)/C(=C/C)/C)C(=O)O3)O)C)\C)O)C
Structure:
CAS RN: 115021-83-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H48O8
MOLECULAR WEIGHT: 584.74012
SMILES: C/C=C(\C)/[C@@H]1[C@H](C[C@H]([C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5O)C)C(=O)O3)O)C)\C)O)C
Structure:
CAS RN: 115008-94-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H50O8
MOLECULAR WEIGHT: 598.7667
SMILES: C/C=C(\C)/[C@@H]1[C@H](C[C@H]([C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5OC)C)C(=O)O3)O)C)\C)O)C
Structure:
CAS RN: 114582-74-0
CAS Name: (6S,10Z)-6-hydroxy-3-methoxy-2-methylene-10-propylidene-3-azaspiro[4.5]dec-8-ene-1,4,7-trione
OPENEYE Name: (6S,10Z)-6-hydroxy-3-methoxy-2-methylene-10-propylidene-3-azaspiro[4.5]dec-8-ene-1,4,7-trione
IUPAC Name: (6S,10Z)-6-hydroxy-3-methoxy-2-methylidene-10-propylidene-3-azaspiro[4.5]dec-8-ene-1,4,7-trione
SYSTEMATIC NAME: (6S,10Z)-3-methoxy-2-methylidene-6-oxidanyl-10-propylidene-3-azaspiro[4.5]dec-8-ene-1,4,7-trione
MOLECULAR FORMULA: C14H15NO5
MOLECULAR WEIGHT: 277.2726
SMILES: CC/C=C\1/C=CC(=O)[C@H](C12C(=O)C(=C)N(C2=O)OC)O
Structure:
CAS RN: 113507-74-7
CAS Name: 2-[(E)-pentadec-3-enyl]-2H-azirine-3-carboxylic acid methyl ester
OPENEYE Name: methyl 2-[(E)-pentadec-3-enyl]-2H-azirine-3-carboxylate
IUPAC Name: methyl 2-[(E)-pentadec-3-enyl]-2H-azirine-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(E)-pentadec-3-enyl]-2H-azirine-3-carboxylate
MOLECULAR FORMULA: C19H33NO2
MOLECULAR WEIGHT: 307.47082
SMILES: CCCCCCCCCCC/C=C/CCC1C(=N1)C(=O)OC
Structure:
CAS RN: 112125-00-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H48O7
MOLECULAR WEIGHT: 568.74072
SMILES: C/C=C(\C)/[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)\C)C
Structure:
CAS RN: 111844-46-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H23NO6
MOLECULAR WEIGHT: 349.37832
SMILES: C/C=C/1\C[C@H]([C@@](C(=O)OCC2=C3[C@@H]([C@@H](CN3C=C2)O)OC1=O)(C)O)C
Structure:
CAS RN: 111810-18-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H63ClO17
MOLECULAR WEIGHT: 971.47802
SMILES: CC1CC23C(/C=C\CCCCC4C=CC5C(C4(C(=O)OC(=C(O2)O)C3=O)C)CCCC5OC6C(C(C(C(O6)C)OC7CC(C(C(O7)C)O)OC(=O)C8=C(C=CC(=C8C)Cl)OC)O)O)C=C1C(=O)O
Structure:
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