CAS RN: 102851-70-7
CAS Name: 4-(2-aminoethyl)-3-chlorobenzene-1,2-diol
OPENEYE Name: 4-(2-aminoethyl)-3-chloro-benzene-1,2-diol
IUPAC Name: 4-(2-aminoethyl)-3-chlorobenzene-1,2-diol
SYSTEMATIC NAME: 4-(2-azanylethyl)-3-chloranyl-benzene-1,2-diol
MOLECULAR FORMULA: C8H10ClNO2
MOLECULAR WEIGHT: 187.6235
SMILES: C1=CC(=C(C(=C1CCN)Cl)O)O
Structure:
CAS RN: 102848-63-5
CAS Name: 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-dimethyl-7-(1-methylethenyl)-3a,4,5,5a,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid methyl ester
OPENEYE Name: methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-7-isopropenyl-9a,9b-dimethyl-3a,4,5,5a,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
IUPAC Name: methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-dimethyl-7-prop-1-en-2-yl-3a,4,5,5a,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
SYSTEMATIC NAME: methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-dimethyl-7-prop-1-en-2-yl-3a,4,5,5a,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
MOLECULAR FORMULA: C22H34O2
MOLECULAR WEIGHT: 330.50416
SMILES: CC(=C)[C@H]1CC[C@@]2([C@@H]([C@H]1CCC(=O)OC)CC[C@H]3[C@]2(CC=C3)C)C
Structure:
CAS RN: 102848-54-4
CAS Name: (2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-dimethyl-3,17-bis(oxidanylidene)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C25H34O9
MOLECULAR WEIGHT: 478.53206
SMILES: C[C@]12CCC(=O)C(=C1CCC3C2CC[C@]4(C3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
Structure:
CAS RN: 102830-69-3
CAS Name: 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
OPENEYE Name: 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
IUPAC Name: 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
MOLECULAR FORMULA: C15H13Cl2NO3S
MOLECULAR WEIGHT: 358.23962
SMILES: CS(=O)(=O)C1=CN=C2C(=C1)CCC(O2)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 102830-65-9
CAS Name: 6-chloro-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
OPENEYE Name: 6-chloro-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
IUPAC Name: 6-chloro-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SYSTEMATIC NAME: 6-chloranyl-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
MOLECULAR FORMULA: C14H10Cl3NO
MOLECULAR WEIGHT: 314.5943
SMILES: C1CC2=CC(=CN=C2OC1C3=CC(=C(C=C3)Cl)Cl)Cl
Structure:
CAS RN: 102830-64-8
CAS Name: 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
OPENEYE Name: 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
IUPAC Name: 6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SYSTEMATIC NAME: 6-bromanyl-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
MOLECULAR FORMULA: C14H10BrCl2NO
MOLECULAR WEIGHT: 359.0453
SMILES: C1CC2=CC(=CN=C2OC1C3=CC(=C(C=C3)Cl)Cl)Br
Structure:
CAS RN: 102821-03-4
CAS Name: (2S,3R)-3-[(2-amino-1-oxo-2-phenylethyl)amino]-2-methyl-4-oxo-1-azetidinesulfonic acid
OPENEYE Name: (2S,3R)-3-[(2-amino-2-phenyl-acetyl)amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid
IUPAC Name: (2S,3R)-3-[(2-amino-2-phenylacetyl)amino]-2-methyl-4-oxoazetidine-1-sulfonic acid
SYSTEMATIC NAME: (2S,3R)-3-[(2-azanyl-2-phenyl-ethanoyl)amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid
MOLECULAR FORMULA: C12H15N3O5S
MOLECULAR WEIGHT: 313.3296
SMILES: C[C@H]1[C@H](C(=O)N1S(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)N
Structure:
CAS RN: 102820-99-5
CAS Name: 3-phenyl-N-(phenylmethyl)-N-[3-(1-piperidinyl)propyl]-5-isoxazolamine hydrochloride
OPENEYE Name: N-benzyl-3-phenyl-N-[3-(1-piperidyl)propyl]isoxazol-5-amine hydrochloride
IUPAC Name: N-benzyl-3-phenyl-N-(3-piperidin-1-ylpropyl)-1,2-oxazol-5-amine hydrochloride
SYSTEMATIC NAME: 3-phenyl-N-(phenylmethyl)-N-(3-piperidin-1-ylpropyl)-1,2-oxazol-5-amine hydrochloride
MOLECULAR FORMULA: C24H30ClN3O
MOLECULAR WEIGHT: 411.9675
SMILES: C1CCN(CC1)CCCN(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4.Cl
Structure:
CAS RN: 102818-56-4
CAS Name: 2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2-propenoic acid
OPENEYE Name: 2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]prop-2-enoic acid
IUPAC Name: 2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]prop-2-enoic acid
SYSTEMATIC NAME: 2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-7-oxidanyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]prop-2-enoic acid
MOLECULAR FORMULA: C30H48O3
MOLECULAR WEIGHT: 456.70032
SMILES: C[C@]12CCC([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CCCC5(C)C)C)O)C)C)C(=C)C(=O)O
Structure:
CAS RN: 102787-19-9
CAS Name: 2-methylpropanoic acid [(2R,3R,4S,5R,6R)-6-[[(2S,3S,4R,5R)-3,4-bis(2-methyl-1-oxopropoxy)-2,5-bis[(2-methyl-1-oxopropoxy)methyl]-2-oxolanyl]oxy]-3,4,5-tris(2-methyl-1-oxopropoxy)-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-bis(2-methylpropanoyloxy)-2,5-bis(2-methylpropanoyloxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-tris(2-methylpropanoyloxy)tetrahydropyran-2-yl]methyl 2-methylpropanoate
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-bis(2-methylpropanoyloxy)-2,5-bis(2-methylpropanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]methyl 2-methylpropanoate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-bis(2-methylpropanoyloxy)-2,5-bis(2-methylpropanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]methyl 2-methylpropanoate
MOLECULAR FORMULA: C44H70O19
MOLECULAR WEIGHT: 903.0152
SMILES: CC(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C
Structure:
CAS RN: 102743-85-1
CAS Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(5S)-5-amino-6-hydrazinyl-6-oxohexyl]pentanamide
OPENEYE Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(5S)-5-amino-6-hydrazino-6-oxo-hexyl]pentanamide
IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(5S)-5-amino-6-hydrazinyl-6-oxohexyl]pentanamide
SYSTEMATIC NAME: 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(5S)-5-azanyl-6-diazanyl-6-oxidanylidene-hexyl]pentanamide
MOLECULAR FORMULA: C16H30N6O3S
MOLECULAR WEIGHT: 386.5128
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)NN)N)NC(=O)N2
Structure:
CAS RN: 102735-33-1
CAS Name: 2-amino-N-[4-amino-3-[[3-amino-6-(1-aminoethyl)-2-oxanyl]oxy]-2,6-dihydroxycyclohexyl]-N-methylacetamide tetrahydrochloride
OPENEYE Name: 2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)tetrahydropyran-2-yl]oxy-2,6-dihydroxy-cyclohexyl]-N-methyl-acetamide tetrahydrochloride
IUPAC Name: 2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide tetrahydrochloride
SYSTEMATIC NAME: 2-azanyl-N-[4-azanyl-3-[3-azanyl-6-(1-azanylethyl)oxan-2-yl]oxy-2,6-bis(oxidanyl)cyclohexyl]-N-methyl-ethanamide tetrahydrochloride
MOLECULAR FORMULA: C16H37Cl4N5O5
MOLECULAR WEIGHT: 521.30748
SMILES: CC(C1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)O)N)N)N.Cl.Cl.Cl.Cl
Structure:
CAS RN: 102731-62-4
CAS Name: (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboperoxoic acid [(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl] ester
OPENEYE Name: [(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl] (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboperoxoate
IUPAC Name: [(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboperoxoate
SYSTEMATIC NAME: [(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboperoxoate
MOLECULAR FORMULA: C11H18N2O7
MOLECULAR WEIGHT: 290.26982
SMILES: CC1=NCC[C@@H](N1)C(=O)OO[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 102728-60-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H83NO20
MOLECULAR WEIGHT: 1030.19942
SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CC(CC6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)OC1C(C(C(C(O1)C)O)O)O)C)C)C
Structure:
CAS RN: 102725-57-5
CAS Name: 2,2-dimethylpropanoic acid (N-acetyl-4-ethoxyanilino) ester
OPENEYE Name: (N-acetyl-4-ethoxy-anilino) 2,2-dimethylpropanoate
IUPAC Name: (N-acetyl-4-ethoxyanilino) 2,2-dimethylpropanoate
SYSTEMATIC NAME: [ethanoyl-(4-ethoxyphenyl)amino] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C15H21NO4
MOLECULAR WEIGHT: 279.33154
SMILES: CCOC1=CC=C(C=C1)N(C(=O)C)OC(=O)C(C)(C)C
Structure:
CAS RN: 102722-02-1
CAS Name: 2-[2-(tert-butylamino)-1-hydroxyethyl]phenol
OPENEYE Name: 2-[2-(tert-butylamino)-1-hydroxy-ethyl]phenol
IUPAC Name: 2-[2-(tert-butylamino)-1-hydroxyethyl]phenol
SYSTEMATIC NAME: 2-[2-(tert-butylamino)-1-oxidanyl-ethyl]phenol
MOLECULAR FORMULA: C12H19NO2
MOLECULAR WEIGHT: 209.28476
SMILES: CC(C)(C)NCC(C1=CC=CC=C1O)O
Structure:
CAS RN: 102719-85-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H21NO5
MOLECULAR WEIGHT: 355.38444
SMILES: C[N@+]1(CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3)[O-]
Structure:
CAS RN: 103064-23-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19N
MOLECULAR WEIGHT: 213.31806
SMILES: CN(C)C1C2CC=CC1CC3=CC=CC=C23
Structure:
CAS RN: 103024-44-8
CAS Name: 2-[4-(phenylmethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-(4-benzyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate
IUPAC Name: ethyl 2-(4-benzyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-[4-(phenylmethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]ethanoate
MOLECULAR FORMULA: C22H23NO3
MOLECULAR WEIGHT: 349.42292
SMILES: CCOC(=O)CC1C2=C(C(CO1)CC3=CC=CC=C3)C4=CC=CC=C4N2
Structure:
CAS RN: 102986-13-0
CAS Name: (2R)-2-amino-3-[[5-(carboxymethyl)-2,3-dihydroxyphenyl]thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[5-(carboxymethyl)-2,3-dihydroxy-phenyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-[5-(carboxymethyl)-2,3-dihydroxyphenyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[5-(2-hydroxy-2-oxoethyl)-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C11H13NO6S
MOLECULAR WEIGHT: 287.28902
SMILES: C1=C(C=C(C(=C1O)O)SC[C@@H](C(=O)O)N)CC(=O)O
Structure:
CAS RN: 102904-25-6
CAS Name: 2,2-dichloro-N-[2-(4-nitrophenyl)ethyl]acetamide
OPENEYE Name: 2,2-dichloro-N-[2-(4-nitrophenyl)ethyl]acetamide
IUPAC Name: 2,2-dichloro-N-[2-(4-nitrophenyl)ethyl]acetamide
SYSTEMATIC NAME: 2,2-bis(chloranyl)-N-[2-(4-nitrophenyl)ethyl]ethanamide
MOLECULAR FORMULA: C10H10Cl2N2O3
MOLECULAR WEIGHT: 277.104
SMILES: C1=CC(=CC=C1CCNC(=O)C(Cl)Cl)[N+](=O)[O-]
Structure:
CAS RN: 102904-11-0
CAS Name: 2,2-dimethylpropanoic acid [4-[2-[2-[[(4-chlorophenyl)-oxomethyl]amino]ethylamino]-1-hydroxyethyl]-2-(2,2-dimethyl-1-oxopropoxy)phenyl] ester
OPENEYE Name: [4-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-1-hydroxy-ethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
IUPAC Name: [4-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-1-hydroxyethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [4-[2-[2-[(4-chlorophenyl)carbonylamino]ethylamino]-1-oxidanyl-ethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C27H35ClN2O6
MOLECULAR WEIGHT: 519.0296
SMILES: CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNCCNC(=O)C2=CC=C(C=C2)Cl)O)OC(=O)C(C)(C)C
Structure:
CAS RN: 102902-43-2
CAS Name: 5-ethyl-2-(hydroxyamino)-5-propyl-1H-pyrimidine-4,6-dione
OPENEYE Name: 5-ethyl-2-(hydroxyamino)-5-propyl-1H-pyrimidine-4,6-dione
IUPAC Name: 5-ethyl-2-(hydroxyamino)-5-propyl-1H-pyrimidine-4,6-dione
SYSTEMATIC NAME: 5-ethyl-2-(oxidanylamino)-5-propyl-1H-pyrimidine-4,6-dione
MOLECULAR FORMULA: C9H15N3O3
MOLECULAR WEIGHT: 213.2337
SMILES: CCCC1(C(=O)NC(=NC1=O)NO)CC
Structure:
CAS RN: 102856-52-0
CAS Name: (2-methoxy-2-oxoethyl)-dimethylselenonium
OPENEYE Name: (2-methoxy-2-oxo-ethyl)-dimethyl-selenonium
IUPAC Name: (2-methoxy-2-oxoethyl)-dimethylselanium
SYSTEMATIC NAME: (2-methoxy-2-oxidanylidene-ethyl)-dimethyl-selanium
MOLECULAR FORMULA: C5H11O2Se+
MOLECULAR WEIGHT: 182.09964
SMILES: COC(=O)C[Se+](C)C
Structure:
CAS RN: 102856-34-8
CAS Name: 5-ethyl-2-(hydroxyamino)-5-pentan-2-yl-1H-pyrimidine-4,6-dione
OPENEYE Name: 5-ethyl-2-(hydroxyamino)-5-(1-methylbutyl)-1H-pyrimidine-4,6-dione
IUPAC Name: 5-ethyl-2-(hydroxyamino)-5-pentan-2-yl-1H-pyrimidine-4,6-dione
SYSTEMATIC NAME: 5-ethyl-2-(oxidanylamino)-5-pentan-2-yl-1H-pyrimidine-4,6-dione
MOLECULAR FORMULA: C11H19N3O3
MOLECULAR WEIGHT: 241.28686
SMILES: CCCC(C)C1(C(=O)NC(=NC1=O)NO)CC
Structure:
CAS RN: 102848-61-3
CAS Name: (5R,9R,10R,13R)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (5R,9R,10R,13R)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (5R,9R,10R,13R)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5R,9R,10R,13R)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H34O
MOLECULAR WEIGHT: 314.50476
SMILES: C[C@]12CCC(=O)C([C@@H]1CCC3([C@@H]2CC[C@H]4C3(CC=C4)C)C)(C)C
Structure:
CAS RN: 102841-49-6
CAS Name: 2-(4-hydroxy-3-thiazol-3-iumyl)ethyl [2-[[(octadecylamino)-oxomethoxy]methyl]-2-oxolanyl]methyl phosphate
OPENEYE Name: 2-(4-hydroxythiazol-3-ium-3-yl)ethyl [2-(octadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl phosphate
IUPAC Name: 2-(4-hydroxy-1,3-thiazol-3-ium-3-yl)ethyl [2-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl phosphate
SYSTEMATIC NAME: [2-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-(4-oxidanyl-1,3-thiazol-3-ium-3-yl)ethyl phosphate
MOLECULAR FORMULA: C30H55N2O8PS
MOLECULAR WEIGHT: 634.805061
SMILES: CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCO1)COP(=O)([O-])OCC[N+]2=CSC=C2O
Structure:
CAS RN: 102841-48-5
CAS Name: N-octadecylcarbamic acid [2-methoxy-3-[4-(3-thiazol-3-iumyl)butoxy]propyl] ester bromide
OPENEYE Name: [2-methoxy-3-(4-thiazol-3-ium-3-ylbutoxy)propyl] N-octadecylcarbamate bromide
IUPAC Name: [2-methoxy-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propyl] N-octadecylcarbamate bromide
SYSTEMATIC NAME: [2-methoxy-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propyl] N-octadecylcarbamate bromide
MOLECULAR FORMULA: C30H57BrN2O4S
MOLECULAR WEIGHT: 621.75358
SMILES: CCCCCCCCCCCCCCCCCCNC(=O)OCC(COCCCC[N+]1=CSC=C1)OC.[Br-]
Structure:
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