CAS RN: 84710-57-6
CAS Name: (2S,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
OPENEYE Name: (2S,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid
IUPAC Name: (2S,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
SYSTEMATIC NAME: (2S,3S,4R,5S)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoic acid
MOLECULAR FORMULA: C6H10O7
MOLECULAR WEIGHT: 194.1394
SMILES: C(=O)[C@H]([C@@H]([C@@H]([C@@H](C(=O)O)O)O)O)O
Structure:
CAS RN: 84678-40-0
CAS Name: 4-ethoxybenzenesulfonic acid 2-(dimethylamino)ethyl ester
OPENEYE Name: 2-(dimethylamino)ethyl 4-ethoxybenzenesulfonate
IUPAC Name: 2-(dimethylamino)ethyl 4-ethoxybenzenesulfonate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 4-ethoxybenzenesulfonate
MOLECULAR FORMULA: C12H19NO4S
MOLECULAR WEIGHT: 273.34856
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)OCCN(C)C
Structure:
CAS RN: 84676-48-2
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C18H34N4O5
MOLECULAR WEIGHT: 386.48636
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)N
Structure:
CAS RN: 84661-56-3
CAS Name: 1-(1-imidazolylmethyl)imidazole
OPENEYE Name: 1-(imidazol-1-ylmethyl)imidazole
IUPAC Name: 1-(imidazol-1-ylmethyl)imidazole
SYSTEMATIC NAME: 1-(imidazol-1-ylmethyl)imidazole
MOLECULAR FORMULA: C7H8N4
MOLECULAR WEIGHT: 148.16522
SMILES: C1=CN(C=N1)CN2C=CN=C2
Structure:
CAS RN: 84619-64-7
CAS Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid
OPENEYE Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-4-oxo-butanoic acid
IUPAC Name: (2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (2S)-4-azanyl-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]propanoyl]amino]ethanoylamino]propanoyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C16H27N7O8
MOLECULAR WEIGHT: 445.42768
SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)N
Structure:
CAS RN: 84619-63-6
CAS Name: (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide
OPENEYE Name: (2S)-2-amino-N-[(1R)-2-[[2-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]butanediamide
IUPAC Name: (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(2R)-1-[[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]butanediamide
MOLECULAR FORMULA: C12H22N6O5
MOLECULAR WEIGHT: 330.34028
SMILES: C[C@@H](C(=O)N)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)N)N
Structure:
CAS RN: 84619-48-7
CAS Name: (2S,5S)-piperidine-2,5-dicarboxylic acid
OPENEYE Name: (2S,5S)-piperidine-2,5-dicarboxylic acid
IUPAC Name: (2S,5S)-piperidine-2,5-dicarboxylic acid
SYSTEMATIC NAME: (2S,5S)-piperidine-2,5-dicarboxylic acid
MOLECULAR FORMULA: C7H11NO4
MOLECULAR WEIGHT: 173.16654
SMILES: C1C[C@H](NC[C@H]1C(=O)O)C(=O)O
Structure:
CAS RN: 21813-99-0
CAS Name: calcium 5-butyl-2-pyridinecarboxylate
OPENEYE Name: calcium 5-butylpyridine-2-carboxylate
IUPAC Name: calcium 5-butylpyridine-2-carboxylate
SYSTEMATIC NAME: calcium 5-butylpyridine-2-carboxylate
MOLECULAR FORMULA: C20H24CaN2O4
MOLECULAR WEIGHT: 396.49356
SMILES: CCCCC1=CN=C(C=C1)C(=O)[O-].CCCCC1=CN=C(C=C1)C(=O)[O-].[Ca+2]
Structure:
CAS RN: 21466-08-0
CAS Name: (3R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: (3R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: (3R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: (3R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 300.43512
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CC[C@H](C4)O
Structure:
CAS RN: 21124-09-4
CAS Name: N-ethylazoaniline
OPENEYE Name: N-ethylazoaniline
IUPAC Name: N-(ethyldiazenyl)aniline
SYSTEMATIC NAME: N-(ethyldiazenyl)aniline
MOLECULAR FORMULA: C8H11N3
MOLECULAR WEIGHT: 149.19304
SMILES: CCN=NNC1=CC=CC=C1
Structure:
CAS RN: 20989-17-7
CAS Name: (2S)-2-amino-2-phenylethanol
OPENEYE Name: (2S)-2-amino-2-phenyl-ethanol
IUPAC Name: (2S)-2-amino-2-phenylethanol
SYSTEMATIC NAME: (2S)-2-azanyl-2-phenyl-ethanol
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: C1=CC=C(C=C1)[C@@H](CO)N
Structure:
CAS RN: 21085-57-4
CAS Name: 2-(3,4-dichlorophenyl)ethylhydrazine
OPENEYE Name: 2-(3,4-dichlorophenyl)ethylhydrazine
IUPAC Name: 2-(3,4-dichlorophenyl)ethylhydrazine
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)ethyldiazane
MOLECULAR FORMULA: C8H10Cl2N2
MOLECULAR WEIGHT: 205.0844
SMILES: C1=CC(=C(C=C1CCNN)Cl)Cl
Structure:
CAS RN: 19437-45-7
CAS Name: 4,5-dihydro-1H-imidazol-2-amine
OPENEYE Name: 4,5-dihydro-1H-imidazol-2-amine
IUPAC Name: 4,5-dihydro-1H-imidazol-2-amine
SYSTEMATIC NAME: 4,5-dihydro-1H-imidazol-2-amine
MOLECULAR FORMULA: C3H7N3
MOLECULAR WEIGHT: 85.10778
SMILES: C1CN=C(N1)N
Structure:
CAS RN: 84563-47-3
CAS Name: (2S)-5-amino-5-oxo-2-[[(3S)-2-oxo-3-piperidinyl]-(1-oxopropyl)amino]pentanoic acid ethyl ester
OPENEYE Name: ethyl (2S)-5-amino-5-oxo-2-[[(3S)-2-oxo-3-piperidyl]-propanoyl-amino]pentanoate
IUPAC Name: ethyl (2S)-5-amino-5-oxo-2-[[(3S)-2-oxopiperidin-3-yl]-propanoylamino]pentanoate
SYSTEMATIC NAME: ethyl (2S)-5-azanyl-5-oxidanylidene-2-[[(3S)-2-oxidanylidenepiperidin-3-yl]-propanoyl-amino]pentanoate
MOLECULAR FORMULA: C15H25N3O5
MOLECULAR WEIGHT: 327.3761
SMILES: CCC(=O)N([C@H]1CCCNC1=O)[C@@H](CCC(=O)N)C(=O)OCC
Structure:
CAS RN: 19171-19-8
CAS Name: 4-amino-2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione
OPENEYE Name: 4-amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione
IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SYSTEMATIC NAME: 4-azanyl-2-[2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C13H11N3O4
MOLECULAR WEIGHT: 273.24414
SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N
Structure:
CAS RN: 443912-23-0
CAS Name: 4-amino-2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione
OPENEYE Name: 4-amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione
IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SYSTEMATIC NAME: 4-azanyl-2-[2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C13H11N3O4
MOLECULAR WEIGHT: 273.24414
SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N
Structure:
CAS RN: 443919-33-3
CAS Name: 4-amino-2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione
OPENEYE Name: 4-amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione
IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SYSTEMATIC NAME: 4-azanyl-2-[2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C13H11N3O4
MOLECULAR WEIGHT: 273.24414
SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N
Structure:
CAS RN: 19171-18-7
CAS Name: 2-(2,6-dioxo-3-piperidinyl)-4-nitroisoindole-1,3-dione
OPENEYE Name: 2-(2,6-dioxo-3-piperidyl)-4-nitro-isoindoline-1,3-dione
IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-nitroisoindole-1,3-dione
SYSTEMATIC NAME: 2-[2,6-bis(oxidanylidene)piperidin-3-yl]-4-nitro-isoindole-1,3-dione
MOLECULAR FORMULA: C13H9N3O6
MOLECULAR WEIGHT: 303.22706
SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 84495-20-5
CAS Name: (2S,3R)-2-[(3-carboxy-2,3-dihydroxypropyl)amino]-4-(carboxymethylamino)-3-hydroxybutanoic acid
OPENEYE Name: (2S,3R)-2-[(3-carboxy-2,3-dihydroxy-propyl)amino]-4-(carboxymethylamino)-3-hydroxy-butanoic acid
IUPAC Name: (2S,3R)-2-[(3-carboxy-2,3-dihydroxypropyl)amino]-4-(carboxymethylamino)-3-hydroxybutanoic acid
SYSTEMATIC NAME: (2S,3R)-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-2-[[2,3,4-tris(oxidanyl)-4-oxidanylidene-butyl]amino]butanoic acid
MOLECULAR FORMULA: C10H18N2O9
MOLECULAR WEIGHT: 310.25792
SMILES: C([C@H]([C@@H](C(=O)O)NCC(C(C(=O)O)O)O)O)NCC(=O)O
Structure:
CAS RN: 84489-09-8
CAS Name: N,N-bis(2-chloroethyl)-2-oxo-5,6-dihydro-1,3,2$l^{5}-oxazaphosphorin-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-2-oxo-5,6-dihydro-1,3,2$l^{5}-oxazaphosphinin-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-5,6-dihydro-1,3,2$l^{5}-oxazaphosphinin-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-oxidanylidene-5,6-dihydro-1,3,2$l^{5}-oxazaphosphinin-2-amine
MOLECULAR FORMULA: C7H13Cl2N2O2P
MOLECULAR WEIGHT: 259.070081
SMILES: C1COP(=O)(N=C1)N(CCCl)CCCl
Structure:
CAS RN: 84484-78-6
CAS Name: 1-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-1-butanamine hydrochloride
OPENEYE Name: 1-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-butan-1-amine hydrochloride
IUPAC Name: 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-amine hydrochloride
SYSTEMATIC NAME: 1-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-butan-1-amine hydrochloride
MOLECULAR FORMULA: C15H23Cl2N
MOLECULAR WEIGHT: 288.25582
SMILES: CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N.Cl
Structure:
CAS RN: 84483-30-7
CAS Name: N-(4-amino-3,5-dibromophenyl)acetamide
OPENEYE Name: N-(4-amino-3,5-dibromo-phenyl)acetamide
IUPAC Name: N-(4-amino-3,5-dibromophenyl)acetamide
SYSTEMATIC NAME: N-[4-azanyl-3,5-bis(bromanyl)phenyl]ethanamide
MOLECULAR FORMULA: C8H8Br2N2O
MOLECULAR WEIGHT: 307.96992
SMILES: CC(=O)NC1=CC(=C(C(=C1)Br)N)Br
Structure:
CAS RN: 19143-28-3
CAS Name: 5-amino-4-(1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid methyl ester
OPENEYE Name: methyl 5-amino-4-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoate
IUPAC Name: methyl 5-amino-4-(1,3-dioxoisoindol-2-yl)-5-oxopentanoate
SYSTEMATIC NAME: methyl 5-azanyl-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C14H14N2O5
MOLECULAR WEIGHT: 290.27136
SMILES: COC(=O)CCC(C(=O)N)N1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 84461-99-4
CAS Name: N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide
OPENEYE Name: N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-hydroxy-3-methoxy-benzamide
IUPAC Name: N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-hydroxy-3-methoxybenzamide
SYSTEMATIC NAME: N-[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-methoxy-4-oxidanyl-benzamide
MOLECULAR FORMULA: C22H26Br2N2O3
MOLECULAR WEIGHT: 526.26144
SMILES: CN(CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)O)OC)Br)Br)C3CCCCC3
Structure:
CAS RN: 84461-59-6
CAS Name: 6-[(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)disulfanyl]-3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 6-[(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)disulfanyl]-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)disulfanyl]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 6-[[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]disulfanyl]-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C40H22O10S2
MOLECULAR WEIGHT: 726.72668
SMILES: C1=CC2=C(C=C1O)OC3=C(C24C5=C(C=C(C=C5)SSC6=CC7=C(C=C6)C8(C9=C(C=C(C=C9)O)OC1=C8C=CC(=C1)O)OC7=O)C(=O)O4)C=CC(=C3)O
Structure:
CAS RN: 18829-79-3
CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid hydrochloride
OPENEYE Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid hydrochloride
IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid hydrochloride
SYSTEMATIC NAME: (2R)-2-acetamido-3-sulfanyl-propanoic acid hydrochloride
MOLECULAR FORMULA: C5H10ClNO3S
MOLECULAR WEIGHT: 199.6558
SMILES: CC(=O)N[C@@H](CS)C(=O)O.Cl
Structure:
CAS RN: 18588-49-3
CAS Name: 5-phenylpyrimidine-2,4-diamine
OPENEYE Name: 5-phenylpyrimidine-2,4-diamine
IUPAC Name: 5-phenylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-phenylpyrimidine-2,4-diamine
MOLECULAR FORMULA: C10H10N4
MOLECULAR WEIGHT: 186.2132
SMILES: C1=CC=C(C=C1)C2=CN=C(N=C2N)N
Structure:
CAS RN: 9017-68-9
CAS Name: acetic acid [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-dichloro-10,13-dimethyl-2-methylene-17-oxo-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-dichloro-10,13-dimethyl-2-methylene-17-oxo-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-dichloro-10,13-dimethyl-2-methylidene-17-oxo-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3R,5S,6R,8S,9S,10R,13S,14S)-5,6-bis(chloranyl)-10,13-dimethyl-2-methylidene-17-oxidanylidene-1,3,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C22H30Cl2O3
MOLECULAR WEIGHT: 413.3778
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](C[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(CC1=C)C)C)Cl)Cl
Structure:
CAS RN: 90147-18-5
CAS Name: (3S,6S,8S,9S,13R,14S)-6-(2-fluoroethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,6S,8S,9S,13R,14S)-17-[(1R)-1,5-dimethylhexyl]-6-(2-fluoroethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,6S,8S,9S,13R,14S)-6-(2-fluoroethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,6S,8S,9S,13R,14S)-6-(2-fluoranylethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C28H47FO
MOLECULAR WEIGHT: 418.670583
SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=C3CC[C@@H](C4)O)CCF)C
Structure:
CAS RN: 18796-04-8
CAS Name: 1-chloro-3-[2-(3-chloro-2-hydroxypropoxy)propoxy]-2-propanol
OPENEYE Name: 1-chloro-3-[2-(3-chloro-2-hydroxy-propoxy)propoxy]propan-2-ol
IUPAC Name: 1-chloro-3-[2-(3-chloro-2-hydroxypropoxy)propoxy]propan-2-ol
SYSTEMATIC NAME: 1-chloranyl-3-[2-(3-chloranyl-2-oxidanyl-propoxy)propoxy]propan-2-ol
MOLECULAR FORMULA: C9H18Cl2O4
MOLECULAR WEIGHT: 261.14282
SMILES: CC(COCC(CCl)O)OCC(CCl)O
Structure:
CAS RN: 17766-02-8
CAS Name: (6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-1-ol
OPENEYE Name: (6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
IUPAC Name: (6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
SYSTEMATIC NAME: (6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
MOLECULAR FORMULA: C21H30O2
MOLECULAR WEIGHT: 314.4617
SMILES: CCCCCC1=CC2=C([C@H]3C=C(CC[C@@H]3C(O2)(C)C)C)C(=C1)O
Structure:
CAS RN: 9009-40-9
CAS Name: [(2S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [(2S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [(2S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N5O9P2
MOLECULAR WEIGHT: 411.201722
SMILES: C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N
Structure:
CAS RN: 17599-81-4
CAS Name: copper(1+) sulfate
OPENEYE Name: dicuprous sulfate
IUPAC Name: copper(1+) sulfate
SYSTEMATIC NAME: copper(1+) sulfate
MOLECULAR FORMULA: Cu2O4S
MOLECULAR WEIGHT: 223.1546
SMILES: [O-]S(=O)(=O)[O-].[Cu+].[Cu+]
Structure:
CAS RN: 84304-14-3
CAS Name: (2,3-dihydroxyphenyl)methyl-trimethylammonium
OPENEYE Name: (2,3-dihydroxyphenyl)methyl-trimethyl-ammonium
IUPAC Name: (2,3-dihydroxyphenyl)methyl-trimethylazanium
SYSTEMATIC NAME: [2,3-bis(oxidanyl)phenyl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C10H16NO2+
MOLECULAR WEIGHT: 182.23954
SMILES: C[N+](C)(C)CC1=C(C(=CC=C1)O)O
Structure:
CAS RN: 40892-31-7
CAS Name: 2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-(methylamino)ethyl]phenol
OPENEYE Name: 2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-(methylamino)ethyl]phenol
IUPAC Name: 2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-(methylamino)ethyl]phenol
SYSTEMATIC NAME: 2,3-bis(oxidanyl)butanedioic acid; 4-[2-(methylamino)-1-oxidanyl-ethyl]phenol
MOLECULAR FORMULA: C13H19NO8
MOLECULAR WEIGHT: 317.29186
SMILES: CNCC(C1=CC=C(C=C1)O)O.C(C(C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 16674-78-5
CAS Name: magnesium diacetate tetrahydrate
OPENEYE Name: magnesium diacetate tetrahydrate
IUPAC Name: magnesium diacetate tetrahydrate
SYSTEMATIC NAME: magnesium diethanoate tetrahydrate
MOLECULAR FORMULA: C4H14MgO8
MOLECULAR WEIGHT: 214.45416
SMILES: CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Mg+2]
Structure:
CAS RN: 90013-14-2
CAS Name: 1,2,3,4-tetrachloro-7-fluorodibenzo-p-dioxin
OPENEYE Name: 1,2,3,4-tetrachloro-7-fluoro-dibenzo-p-dioxin
IUPAC Name: 1,2,3,4-tetrachloro-7-fluorodibenzo-p-dioxin
SYSTEMATIC NAME: 1,2,3,4-tetrakis(chloranyl)-7-fluoranyl-dibenzo-p-dioxin
MOLECULAR FORMULA: C12H3Cl4FO2
MOLECULAR WEIGHT: 339.961423
SMILES: C1=CC2=C(C=C1F)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
Structure:
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