CAS RN: 602-63-1
CAS Name: 1,2-dihydroxy-3-methylanthracene-9,10-dione
OPENEYE Name: 1,2-dihydroxy-3-methyl-anthracene-9,10-dione
IUPAC Name: 1,2-dihydroxy-3-methylanthracene-9,10-dione
SYSTEMATIC NAME: 3-methyl-1,2-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C15H10O4
MOLECULAR WEIGHT: 254.2375
SMILES: CC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)O)O
Structure:
CAS RN: 36509-73-6
CAS Name: N1,N1,N2,N2,N3,N3-hexamethylcyclopropene-1,2,3-triamine; trihydroxy(oxo)-$l^{5}-chlorane
OPENEYE Name: N1,N1,N2,N2,N3,N3-hexamethylcyclopropene-1,2,3-triamine; trihydroxy(oxo)-$l^{5}-chlorane
IUPAC Name: 1-N,1-N,2-N,2-N,3-N,3-N-hexamethylcyclopropene-1,2,3-triamine; trihydroxy(oxo)-$l^{5}-chlorane
SYSTEMATIC NAME: N1,N1,N2,N2,N3,N3-hexamethylcyclopropene-1,2,3-triamine; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane
MOLECULAR FORMULA: C9H22ClN3O4
MOLECULAR WEIGHT: 271.74168
SMILES: CN(C)C1C(=C1N(C)C)N(C)C.OCl(=O)(O)O
Structure:
CAS RN: 76127-17-8
CAS Name: 1-(3-chloro-N-nitrosoanilino)ethanesulfonic acid
OPENEYE Name: 1-(3-chloro-N-nitroso-anilino)ethanesulfonic acid
IUPAC Name: 1-(3-chloro-N-nitrosoanilino)ethanesulfonic acid
SYSTEMATIC NAME: 1-[(3-chlorophenyl)-nitroso-amino]ethanesulfonic acid
MOLECULAR FORMULA: C8H9ClN2O4S
MOLECULAR WEIGHT: 264.68606
SMILES: CC(N(C1=CC(=CC=C1)Cl)N=O)S(=O)(=O)O
Structure:
CAS RN: 53202-77-0
CAS Name: trihydroxy(oxo)-$l^{5}-chlorane; 1,2,3-tris(ethylthio)cyclopropene
OPENEYE Name: trihydroxy(oxo)-$l^{5}-chlorane; 1,2,3-tris(ethylsulfanyl)cyclopropene
IUPAC Name: trihydroxy(oxo)-$l^{5}-chlorane; 1,2,3-tris(ethylsulfanyl)cyclopropene
SYSTEMATIC NAME: 1,2,3-tris(ethylsulfanyl)cyclopropene; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane
MOLECULAR FORMULA: C9H19ClO4S3
MOLECULAR WEIGHT: 322.89276
SMILES: CCSC1C(=C1SCC)SCC.OCl(=O)(O)O
Structure:
CAS RN: 10441-02-8
CAS Name: N,N-bis(2-chloroethyl)carbamic acid (2-oxo-1-benzopyran-7-yl) ester
OPENEYE Name: (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate
IUPAC Name: (2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate
SYSTEMATIC NAME: (2-oxidanylidenechromen-7-yl) N,N-bis(2-chloroethyl)carbamate
MOLECULAR FORMULA: C14H13Cl2NO4
MOLECULAR WEIGHT: 330.16332
SMILES: C1=CC(=CC2=C1C=CC(=O)O2)OC(=O)N(CCCl)CCCl
Structure:
CAS RN: 28957-08-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30O7
MOLECULAR WEIGHT: 406.4694
SMILES: CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(=C)C5=O)O)(C)C
Structure:
CAS RN: 5209-48-3
CAS Name: 1,2-dimethyl-3-(1-piperidin-1-iumylidenemethyl)indole
OPENEYE Name: 1,2-dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole
IUPAC Name: 1,2-dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole
SYSTEMATIC NAME: 1,2-dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole
MOLECULAR FORMULA: C16H21N2+
MOLECULAR WEIGHT: 241.35134
SMILES: CC1=C(C2=CC=CC=C2N1C)C=[N+]3CCCCC3
Structure:
CAS RN: 6076-55-7
CAS Name: 2-[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonylamino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[benzyloxycarbonyl-[benzyloxycarbonyl(methyl)amino]amino]acetate
IUPAC Name: ethyl 2-[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonylamino]acetate
SYSTEMATIC NAME: ethyl 2-[[methyl(phenylmethoxycarbonyl)amino]-phenylmethoxycarbonyl-amino]ethanoate
MOLECULAR FORMULA: C21H24N2O6
MOLECULAR WEIGHT: 400.42506
SMILES: CCOC(=O)CN(C(=O)OCC1=CC=CC=C1)N(C)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 27343-00-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H18O6
MOLECULAR WEIGHT: 306.31052
SMILES: CC(=O)OC1CC2C1C3C=CC2C(=C3C(=O)OC)C(=O)OC
Structure:
CAS RN: 67916-64-7
CAS Name: 3-methoxy-10-(4-methoxyphenyl)pyrido[1,2-a]indole
OPENEYE Name: 3-methoxy-10-(4-methoxyphenyl)pyrido[1,2-a]indole
IUPAC Name: 3-methoxy-10-(4-methoxyphenyl)pyrido[1,2-a]indole
SYSTEMATIC NAME: 3-methoxy-10-(4-methoxyphenyl)pyrido[1,2-a]indole
MOLECULAR FORMULA: C20H17NO2
MOLECULAR WEIGHT: 303.35448
SMILES: COC1=CC=C(C=C1)C2=C3C=CC=CN3C4=C2C=CC(=C4)OC
Structure:
CAS RN: 59886-42-9
CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis(3-hydroxy-1-piperidinyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(aziridin-1-yl)-3,6-bis(3-hydroxy-1-piperidyl)-1,4-benzoquinone
IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis(3-hydroxypiperidin-1-yl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(aziridin-1-yl)-3,6-bis(3-oxidanylpiperidin-1-yl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C20H28N4O4
MOLECULAR WEIGHT: 388.46072
SMILES: C1CC(CN(C1)C2=C(C(=O)C(=C(C2=O)N3CC3)N4CCCC(C4)O)N5CC5)O
Structure:
CAS RN: 50650-48-1
CAS Name: bis[2-(4-chlorophenyl)ethynyl]mercury
OPENEYE Name: bis[2-(4-chlorophenyl)ethynyl]mercury
IUPAC Name: bis[2-(4-chlorophenyl)ethynyl]mercury
SYSTEMATIC NAME: bis[2-(4-chlorophenyl)ethynyl]mercury
MOLECULAR FORMULA: C16H8Cl2Hg
MOLECULAR WEIGHT: 471.73072
SMILES: C1=CC(=CC=C1C#C[Hg]C#CC2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 92655-61-3
CAS Name: 4-methylbenzenesulfonic acid 6-bicyclo[3.1.1]heptanylmethyl ester
OPENEYE Name: norpinan-6-ylmethyl 4-methylbenzenesulfonate
IUPAC Name: 6-bicyclo[3.1.1]heptanylmethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 6-bicyclo[3.1.1]heptanylmethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C15H20O3S
MOLECULAR WEIGHT: 280.3825
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CCCC2C3
Structure:
CAS RN: 94112-64-8
CAS Name: 4-methylbenzenesulfonic acid 5-bicyclo[2.1.1]hexanylmethyl ester
OPENEYE Name: 5-bicyclo[2.1.1]hexanylmethyl 4-methylbenzenesulfonate
IUPAC Name: 5-bicyclo[2.1.1]hexanylmethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 5-bicyclo[2.1.1]hexanylmethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C14H18O3S
MOLECULAR WEIGHT: 266.35592
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CCC2C3
Structure:
CAS RN: 35825-94-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC(=O)OC1C2C3C2C4C3C41
Structure:
CAS RN: 90220-51-2
CAS Name: 3,4-dihydro-1H-5,2$l^{6},1-benzoxathiazepine 2,2-dioxide
OPENEYE Name: 3,4-dihydro-1H-5,2$l^{6},1-benzoxathiazepine 2,2-dioxide
IUPAC Name: 3,4-dihydro-1H-5,2$l^{6},1-benzoxathiazepine 2,2-dioxide
SYSTEMATIC NAME: 3,4-dihydro-1H-5,2$l^{6},1-benzoxathiazepine 2,2-dioxide
MOLECULAR FORMULA: C8H9NO3S
MOLECULAR WEIGHT: 199.22696
SMILES: C1CS(=O)(=O)NC2=CC=CC=C2O1
Structure:
CAS RN: 57847-75-3
CAS Name: 2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
OPENEYE Name: 2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
IUPAC Name: 2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
SYSTEMATIC NAME: 3,9-dimethoxy-2-methyl-2,5,7-tris(oxidanyl)-3,4-dihydrotetracene-1,6,11-trione
MOLECULAR FORMULA: C21H18O8
MOLECULAR WEIGHT: 398.36282
SMILES: CC1(C(CC2=C(C1=O)C=C3C(=C2O)C(=O)C4=C(C=C(C=C4C3=O)OC)O)OC)O
Structure:
CAS RN: 57847-74-2
CAS Name: 2,4,5,7-tetrahydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
OPENEYE Name: 2,4,5,7-tetrahydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
IUPAC Name: 2,4,5,7-tetrahydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
SYSTEMATIC NAME: 3,9-dimethoxy-2-methyl-2,4,5,7-tetrakis(oxidanyl)-3,4-dihydrotetracene-1,6,11-trione
MOLECULAR FORMULA: C21H18O9
MOLECULAR WEIGHT: 414.36222
SMILES: CC1(C(C(C2=C(C1=O)C=C3C(=C2O)C(=O)C4=C(C=C(C=C4C3=O)OC)O)O)OC)O
Structure:
CAS RN: 26747-12-6
CAS Name: 9-ethenyl-6-purinamine
OPENEYE Name: 9-vinylpurin-6-amine
IUPAC Name: 9-ethenylpurin-6-amine
SYSTEMATIC NAME: 9-ethenylpurin-6-amine
MOLECULAR FORMULA: C7H7N5
MOLECULAR WEIGHT: 161.16398
SMILES: C=CN1C=NC2=C1N=CN=C2N
Structure:
CAS RN: 18126-05-1
CAS Name: acetic acid 1-[6-[5-(1-acetyloxyethyl)-1,6-dihydroxy-6-methyl-8,9,10-trioxo-5,7-dihydroanthracen-2-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl ester
OPENEYE Name: 1-[6-[5-(1-acetoxyethyl)-1,6-dihydroxy-6-methyl-8,9,10-trioxo-5,7-dihydroanthracen-2-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl acetate
IUPAC Name: 1-[6-[5-(1-acetyloxyethyl)-1,6-dihydroxy-6-methyl-8,9,10-trioxo-5,7-dihydroanthracen-2-yl]-2,5-dihydroxy-2-methyl-4,9,10-trioxo-1,3-dihydroanthracen-1-yl]ethyl acetate
SYSTEMATIC NAME: 1-[6-[5-(1-acetyloxyethyl)-6-methyl-1,6-bis(oxidanyl)-8,9,10-tris(oxidanylidene)-5,7-dihydroanthracen-2-yl]-2-methyl-2,5-bis(oxidanyl)-4,9,10-tris(oxidanylidene)-1,3-dihydroanthracen-1-yl]ethyl ethanoate
MOLECULAR FORMULA: C38H34O14
MOLECULAR WEIGHT: 714.66816
SMILES: CC(C1C2=C(C(=O)CC1(C)O)C(=O)C3=C(C2=O)C=CC(=C3O)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)C(=O)CC(C6C(C)OC(=O)C)(C)O)O)OC(=O)C
Structure:
CAS RN: 55114-40-4
CAS Name: 9,13,14-triazabicyclo[8.3.1]tetradeca-1(13),10(14),11-triene-11-carboxamide
OPENEYE Name: 9,13,14-triazabicyclo[8.3.1]tetradeca-1(13),10(14),11-triene-11-carboxamide
IUPAC Name: 9,13,14-triazabicyclo[8.3.1]tetradeca-1(13),10(14),11-triene-11-carboxamide
SYSTEMATIC NAME: 9,13,14-triazabicyclo[8.3.1]tetradeca-1(13),10(14),11-triene-11-carboxamide
MOLECULAR FORMULA: C12H18N4O
MOLECULAR WEIGHT: 234.29752
SMILES: C1CCCC2=NC=C(C(=N2)NCCC1)C(=O)N
Structure:
CAS RN: 65230-72-0
CAS Name: 1,5-dimethyl-4-(methylamino)-2-phenyl-3-pyrazolone; tetrachloropalladium
OPENEYE Name: 1,5-dimethyl-4-(methylamino)-2-phenyl-pyrazol-3-one; tetrachloropalladium
IUPAC Name: 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one; tetrachloropalladium
SYSTEMATIC NAME: 1,5-dimethyl-4-(methylamino)-2-phenyl-pyrazol-3-one; tetrakis(chloranyl)palladium
MOLECULAR FORMULA: C12H15Cl4N3OPd
MOLECULAR WEIGHT: 465.499
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC.Cl[Pd](Cl)(Cl)Cl
Structure:
CAS RN: 20284-79-1
CAS Name: trimethyl-[2-(3-methyl-1-oxobut-2-enoxy)ethyl]ammonium
OPENEYE Name: trimethyl-[2-(3-methylbut-2-enoyloxy)ethyl]ammonium
IUPAC Name: trimethyl-[2-(3-methylbut-2-enoyloxy)ethyl]azanium
SYSTEMATIC NAME: trimethyl-[2-(3-methylbut-2-enoyloxy)ethyl]azanium
MOLECULAR FORMULA: C10H20NO2+
MOLECULAR WEIGHT: 186.2713
SMILES: CC(=CC(=O)OCC[N+](C)(C)C)C
Structure:
CAS RN: 39934-05-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H32O
MOLECULAR WEIGHT: 528.68148
SMILES: CC12C(=C(C(C1=O)(C3(C2(C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C)C7=CC=CC=C7)C8=CC=CC=C8
Structure:
CAS RN: 61307-68-4
CAS Name: 1-[[3-[2-[(6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium
OPENEYE Name: 1-[[3-[2-[(6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenoxy]-4-methoxy-phenyl]methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium
IUPAC Name: 1-[[3-[2-[(6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium
SYSTEMATIC NAME: 1-[[3-[2-[(6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenoxy]-4-methoxy-phenyl]methyl]-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium
MOLECULAR FORMULA: C43H56N2O8+2
MOLECULAR WEIGHT: 728.91334
SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC4=CC(=C(C=C4CC5C6=CC(=C(C=C6CC[N+]5(C)C)OC)OC)OC)OC)OC)OC)C
Structure:
CAS RN: 10544-63-5
CAS Name: (E)-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (E)-but-2-enoate
IUPAC Name: ethyl (E)-but-2-enoate
SYSTEMATIC NAME: ethyl (E)-but-2-enoate
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CCOC(=O)/C=C/C
Structure:
CAS RN: 623-70-1
CAS Name: (E)-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (E)-but-2-enoate
IUPAC Name: ethyl (E)-but-2-enoate
SYSTEMATIC NAME: ethyl (E)-but-2-enoate
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CCOC(=O)/C=C/C
Structure:
CAS RN: 77825-56-0
CAS Name: (E)-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (E)-but-2-enoate
IUPAC Name: ethyl (E)-but-2-enoate
SYSTEMATIC NAME: ethyl (E)-but-2-enoate
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CCOC(=O)/C=C/C
Structure:
CAS RN: 59886-51-0
CAS Name: 2,5-diamino-3,6-bis(1-aziridinyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-diamino-3,6-bis(aziridin-1-yl)-1,4-benzoquinone
IUPAC Name: 2,5-diamino-3,6-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(azanyl)-3,6-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C10H12N4O2
MOLECULAR WEIGHT: 220.22788
SMILES: C1CN1C2=C(C(=O)C(=C(C2=O)N)N3CC3)N
Structure:
CAS RN: 5150-64-1
CAS Name: sulfuric acid (16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) ester
OPENEYE Name: (16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) hydrogen sulfate
IUPAC Name: (16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) hydrogen sulfate
SYSTEMATIC NAME: [13-methyl-16,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
MOLECULAR FORMULA: C18H24O6S
MOLECULAR WEIGHT: 368.44456
SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
Structure:
CAS RN: 51015-07-7
CAS Name: chloro-[2-(trichloromethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]mercury
OPENEYE Name: chloro-[2-(trichloromethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]mercury
IUPAC Name: chloro-[2-(trichloromethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]mercury
SYSTEMATIC NAME: chloranyl-[2-(trichloromethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]mercury
MOLECULAR FORMULA: C8H10Cl4HgO2
MOLECULAR WEIGHT: 480.5658
SMILES: C1CC2C(C(C1)[Hg]Cl)OC(O2)C(Cl)(Cl)Cl
Structure:
CAS RN: 24925-18-6
CAS Name: phenyl(trifluoromethyl)mercury
OPENEYE Name: phenyl(trifluoromethyl)mercury
IUPAC Name: phenyl(trifluoromethyl)mercury
SYSTEMATIC NAME: phenyl(trifluoromethyl)mercury
MOLECULAR FORMULA: C7H5F3Hg
MOLECULAR WEIGHT: 346.69981
SMILES: C1=CC=C(C=C1)[Hg]C(F)(F)F
Structure:
CAS RN: 55324-79-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H59N5O8
MOLECULAR WEIGHT: 797.97866
SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NCCO)O)O)CC)OC)C(=O)OC)O
Structure:
CAS RN: 64234-48-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H61N5O12S
MOLECULAR WEIGHT: 896.05714
SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NCCO)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O
Structure:
CAS RN: 59917-39-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H71N5O17S
MOLECULAR WEIGHT: 1034.17634
SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O.C(C(C(C(C(CO)O)O)O)O)O.OS(=O)(=O)O
Structure:
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