CAS RN: 52080-72-5
CAS Name: dicalcium; 2-hydroxypropanoate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
OPENEYE Name: dicalcium; 2-hydroxypropanoate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
IUPAC Name: dicalcium; 2-hydroxypropanoate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SYSTEMATIC NAME: dicalcium; 2-oxidanylpropanoate; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate
MOLECULAR FORMULA: C18H32Ca2O20
MOLECULAR WEIGHT: 648.59068
SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Ca+2].[Ca+2]
Structure:
CAS RN: 52056-09-4
CAS Name: 1-(heptyldiselanyl)heptane
OPENEYE Name: 1-(heptyldiselanyl)heptane
IUPAC Name: 1-(heptyldiselanyl)heptane
SYSTEMATIC NAME: 1-(heptyldiselanyl)heptane
MOLECULAR FORMULA: C14H30Se2
MOLECULAR WEIGHT: 356.308
SMILES: CCCCCCC[Se][Se]CCCCCCC
Structure:
CAS RN: 52052-66-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: CC(=C)[C@@H]([C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)O
Structure:
CAS RN: 52049-52-2
CAS Name: (2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diamin
OPENEYE Name: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1R)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl
IUPAC Name: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylidene
SYSTEMATIC NAME: (2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-13-(phenylmethyl)-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]-N-[(2R)-1-[(2-azanyl-2
MOLECULAR FORMULA: C46H66N14O11S2
MOLECULAR WEIGHT: 1055.23344
SMILES: CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)N)C(=O)N4CCC[C@H]4C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N
Structure:
CAS RN: 52036-29-0
CAS Name: sulfuric acid [2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] hydrogen sulfate
IUPAC Name: [2-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulfate
SYSTEMATIC NAME: [2-[(8S,9S,10R,11S,13R,14S,17S)-13-methanoyl-10-methyl-11-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] hydrogen sulfate
MOLECULAR FORMULA: C21H28O8S
MOLECULAR WEIGHT: 440.50722
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)COS(=O)(=O)O)C=O)O
Structure:
CAS RN: 52014-82-1
CAS Name: cerium; oxygen(2-); titanium
OPENEYE Name: cerium; oxygen(2-); titanium
IUPAC Name: cerium; oxygen(2-); titanium
SYSTEMATIC NAME: cerium; oxygen(2-); titanium
MOLECULAR FORMULA: CeOTi-2
MOLECULAR WEIGHT: 203.9824
SMILES: [O-2].[Ti].[Ce]
Structure:
CAS RN: 52009-25-3
CAS Name: 1-chloro-N-ethylmethanesulfonamide
OPENEYE Name: 1-chloro-N-ethyl-methanesulfonamide
IUPAC Name: 1-chloro-N-ethylmethanesulfonamide
SYSTEMATIC NAME: 1-chloranyl-N-ethyl-methanesulfonamide
MOLECULAR FORMULA: C3H8ClNO2S
MOLECULAR WEIGHT: 157.61912
SMILES: CCNS(=O)(=O)CCl
Structure:
CAS RN: 52004-58-7
CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
OPENEYE Name: adipic acid; 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
SYSTEMATIC NAME: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
MOLECULAR FORMULA: C34H64N4O8
MOLECULAR WEIGHT: 656.89396
SMILES: CC1(CC(CC(C1)(C)CN)N)C.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 52002-56-9
CAS Name: 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2-methyl-2-propenoic acid methyl ester; 2-methyl-2-propenoic acid 2-methylpropyl ester
OPENEYE Name: 2-hydroxyethyl 2-methylprop-2-enoate; isobutyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
IUPAC Name: 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylpropyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylpropyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H32O7
MOLECULAR WEIGHT: 372.45318
SMILES: CC(C)COC(=O)C(=C)C.CC(=C)C(=O)OC.CC(=C)C(=O)OCCO
Structure:
CAS RN: 51999-23-6
CAS Name: N-(hydroxymethyl)-2-propenamide; 2-methylenebutanedioic acid; 2-methylenebutanoic acid; 2-propenoic acid butyl ester
OPENEYE Name: butyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylenebutanedioic acid; 2-methylenebutanoic acid
IUPAC Name: butyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylidenebutanedioic acid; 2-methylidenebutanoic acid
SYSTEMATIC NAME: butyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylidenebutanedioic acid; 2-methylidenebutanoic acid
MOLECULAR FORMULA: C21H33NO10
MOLECULAR WEIGHT: 459.48742
SMILES: CCCCOC(=O)C=C.CCC(=C)C(=O)O.C=CC(=O)NCO.C=C(CC(=O)O)C(=O)O
Structure:
CAS RN: 68568-49-0
CAS Name: N-(hydroxymethyl)-2-propenamide; 2-methylenebutanedioic acid; 2-methylenebutanoic acid; 2-propenoic acid butyl ester
OPENEYE Name: butyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylenebutanedioic acid; 2-methylenebutanoic acid
IUPAC Name: butyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylidenebutanedioic acid; 2-methylidenebutanoic acid
SYSTEMATIC NAME: butyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylidenebutanedioic acid; 2-methylidenebutanoic acid
MOLECULAR FORMULA: C21H33NO10
MOLECULAR WEIGHT: 459.48742
SMILES: CCCCOC(=O)C=C.CCC(=C)C(=O)O.C=CC(=O)NCO.C=C(CC(=O)O)C(=O)O
Structure:
CAS RN: 51995-90-5
CAS Name: 1-hydroxy-3-(hydroxymethyl)anthracene-9,10-dione
OPENEYE Name: 1-hydroxy-3-(hydroxymethyl)anthracene-9,10-dione
IUPAC Name: 1-hydroxy-3-(hydroxymethyl)anthracene-9,10-dione
SYSTEMATIC NAME: 3-(hydroxymethyl)-1-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C15H10O4
MOLECULAR WEIGHT: 254.2375
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)CO
Structure:
CAS RN: 51989-29-8
CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[3,2-d]pyrimidin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[3,2-d]pyrimidin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H24N6O6
MOLECULAR WEIGHT: 444.44116
SMILES: C1CC2=C(C(=O)N=C(N2)N)NC1CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 51982-45-7
CAS Name: (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H42O
MOLECULAR WEIGHT: 382.62178
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 51954-76-8
CAS Name: 1-[(4-chlorophenyl)methylsulfinyl]-N,N-diethylformamide
OPENEYE Name: 1-[(4-chlorophenyl)methylsulfinyl]-N,N-diethyl-formamide
IUPAC Name: 1-[(4-chlorophenyl)methylsulfinyl]-N,N-diethylformamide
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methylsulfinyl]-N,N-diethyl-methanamide
MOLECULAR FORMULA: C12H16ClNO2S
MOLECULAR WEIGHT: 273.77894
SMILES: CCN(CC)C(=O)S(=O)CC1=CC=C(C=C1)Cl
Structure:
CAS RN: 52236-28-9
CAS Name: 1-[(4-chlorophenyl)methylsulfinyl]-N,N-diethylformamide
OPENEYE Name: 1-[(4-chlorophenyl)methylsulfinyl]-N,N-diethyl-formamide
IUPAC Name: 1-[(4-chlorophenyl)methylsulfinyl]-N,N-diethylformamide
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methylsulfinyl]-N,N-diethyl-methanamide
MOLECULAR FORMULA: C12H16ClNO2S
MOLECULAR WEIGHT: 273.77894
SMILES: CCN(CC)C(=O)S(=O)CC1=CC=C(C=C1)Cl
Structure:
CAS RN: 51952-69-3
CAS Name: ammonia; chloromethane; 1,2-dichloroethane
OPENEYE Name: ammonia; chloromethane; 1,2-dichloroethane
IUPAC Name: azane; chloromethane; 1,2-dichloroethane
SYSTEMATIC NAME: azane; 1,2-bis(chloranyl)ethane; chloranylmethane
MOLECULAR FORMULA: C3H10Cl3N
MOLECULAR WEIGHT: 166.4772
SMILES: CCl.C(CCl)Cl.N
Structure:
CAS RN: 51943-80-7
CAS Name: (2S)-2-[[2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxoethyl]amino]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-1-oxoethyl]pentanediamide
OPENEYE Name: (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]acetyl]pentanediamide
IUPAC Name: (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]acetyl]pentanediamide
SYSTEMATIC NAME: (2S)-2-[2-[[(2S)-2-azanylpropanoyl]amino]ethanoylamino]-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethanoyl]pentanediamide
MOLECULAR FORMULA: C17H28N8O5
MOLECULAR WEIGHT: 424.45482
SMILES: C[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)NC(=O)CNCCC1=CN=CN1)N
Structure:
CAS RN: 51938-50-2
CAS Name: 14,16,18,20,22,25,26,28,30-nonahydroxy-15,31-dimethyl-32-propan-2-yl-1-oxacyclodotriaconta-3,5,7,9,11-pentaen-2-one
OPENEYE Name: 14,16,18,20,22,25,26,28,30-nonahydroxy-32-isopropyl-15,31-dimethyl-1-oxacyclodotriaconta-3,5,7,9,11-pentaen-2-one
IUPAC Name: 14,16,18,20,22,25,26,28,30-nonahydroxy-15,31-dimethyl-32-propan-2-yl-1-oxacyclodotriaconta-3,5,7,9,11-pentaen-2-one
SYSTEMATIC NAME: 15,31-dimethyl-14,16,18,20,22,25,26,28,30-nonakis(oxidanyl)-32-propan-2-yl-1-oxacyclodotriaconta-3,5,7,9,11-pentaen-2-one
MOLECULAR FORMULA: C36H60O11
MOLECULAR WEIGHT: 668.855
SMILES: CC1C(CC=CC=CC=CC=CC=CC(=O)OC(C(C(CC(CC(C(CCC(CC(CC(CC1O)O)O)O)O)O)O)O)C)C(C)C)O
Structure:
CAS RN: 51938-44-4
CAS Name: (3R,4S)-2-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol; octadecanoic acid
OPENEYE Name: (3R,4S)-2-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-3,4-diol; stearic acid
IUPAC Name: (3R,4S)-2-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol; octadecanoic acid
SYSTEMATIC NAME: (3R,4S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]oxolane-3,4-diol; octadecanoic acid
MOLECULAR FORMULA: C54H108O19
MOLECULAR WEIGHT: 1061.42392
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.C1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O.C1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O.C1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O
Structure:
CAS RN: 27986-36-3
CAS Name: 2-(2-nonylphenoxy)ethanol
OPENEYE Name: 2-(2-nonylphenoxy)ethanol
IUPAC Name: 2-(2-nonylphenoxy)ethanol
SYSTEMATIC NAME: 2-(2-nonylphenoxy)ethanol
MOLECULAR FORMULA: C17H28O2
MOLECULAR WEIGHT: 264.40302
SMILES: CCCCCCCCCC1=CC=CC=C1OCCO
Structure:
CAS RN: 51938-25-1
CAS Name: 2-(2-nonylphenoxy)ethanol
OPENEYE Name: 2-(2-nonylphenoxy)ethanol
IUPAC Name: 2-(2-nonylphenoxy)ethanol
SYSTEMATIC NAME: 2-(2-nonylphenoxy)ethanol
MOLECULAR FORMULA: C17H28O2
MOLECULAR WEIGHT: 264.40302
SMILES: CCCCCCCCCC1=CC=CC=C1OCCO
Structure:
CAS RN: 51938-01-3
CAS Name: 4,5-dihydroisoindole-1,3-dione
OPENEYE Name: 4,5-dihydroisoindole-1,3-dione
IUPAC Name: 4,5-dihydroisoindole-1,3-dione
SYSTEMATIC NAME: 4,5-dihydroisoindole-1,3-dione
MOLECULAR FORMULA: C8H7NO2
MOLECULAR WEIGHT: 149.14668
SMILES: C1CC2=C(C=C1)C(=O)NC2=O
Structure:
CAS RN: 51930-97-3
CAS Name: hexadecanoic acid [3-chloro-2-(1-oxohexadecoxy)propyl] ester
OPENEYE Name: (3-chloro-2-hexadecanoyloxy-propyl) hexadecanoate
IUPAC Name: (3-chloro-2-hexadecanoyloxypropyl) hexadecanoate
SYSTEMATIC NAME: (3-chloranyl-2-hexadecanoyloxy-propyl) hexadecanoate
MOLECULAR FORMULA: C35H67ClO4
MOLECULAR WEIGHT: 587.35708
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 51909-61-6
CAS Name: 2-[4,6-diamino-3-[[3-amino-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
OPENEYE Name: 2-[4,6-diamino-3-[[3-amino-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol
IUPAC Name: 2-[4,6-diamino-3-[[3-amino-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
SYSTEMATIC NAME: 2-[4,6-bis(azanyl)-3-[[3-azanyl-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
MOLECULAR FORMULA: C20H39N5O7
MOLECULAR WEIGHT: 461.55296
SMILES: CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CNC)N)N)N)O
Structure:
CAS RN: 51872-53-8
CAS Name: (3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
OPENEYE Name: (3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
IUPAC Name: (3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
SYSTEMATIC NAME: (3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
MOLECULAR FORMULA: C20H31NO
MOLECULAR WEIGHT: 301.46624
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C#N)C)O
Structure:
CAS RN: 51869-30-8
CAS Name: (3R,4R,5S)-3-amino-4,5-dihydroxyhexanal
OPENEYE Name: (3R,4R,5S)-3-amino-4,5-dihydroxy-hexanal
IUPAC Name: (3R,4R,5S)-3-amino-4,5-dihydroxyhexanal
SYSTEMATIC NAME: (3R,4R,5S)-3-azanyl-4,5-bis(oxidanyl)hexanal
MOLECULAR FORMULA: C6H13NO3
MOLECULAR WEIGHT: 147.17232
SMILES: C[C@@H]([C@@H]([C@@H](CC=O)N)O)O
Structure:
CAS RN: 51854-86-5
CAS Name: N-ethylethanamine; 2-hydroperoxysulfonyl-5-hydroxybenzenesulfonic acid
OPENEYE Name: N-ethylethanamine; 2-hydroperoxysulfonyl-5-hydroxy-benzenesulfonic acid
IUPAC Name: N-ethylethanamine; 2-hydroperoxysulfonyl-5-hydroxybenzenesulfonic acid
SYSTEMATIC NAME: 2-(dioxidanylsulfonyl)-5-oxidanyl-benzenesulfonic acid; N-ethylethanamine
MOLECULAR FORMULA: C14H28N2O8S2
MOLECULAR WEIGHT: 416.51072
SMILES: CCNCC.CCNCC.C1=CC(=C(C=C1O)S(=O)(=O)O)S(=O)(=O)OO
Structure:
CAS RN: 51848-48-7
CAS Name: carbamic acid [2-(carbamoyloxymethyl)-2-methylpentyl] ester; 1-[10-[3-(dimethylamino)propyl]-2-phenothiazinyl]ethanone
OPENEYE Name: [2-(carbamoyloxymethyl)-2-methyl-pentyl] carbamate; 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
IUPAC Name: [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate; 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
SYSTEMATIC NAME: [2-(aminocarbonyloxymethyl)-2-methyl-pentyl] carbamate; 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
MOLECULAR FORMULA: C28H40N4O5S
MOLECULAR WEIGHT: 544.706
SMILES: CCCC(C)(COC(=O)N)COC(=O)N.CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C
Structure:
CAS RN: 51846-98-1
CAS Name: 2-[4,6-diamino-3-[[3-amino-6-(1-aminoethyl)-4,5-dihydroxy-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
OPENEYE Name: 2-[4,6-diamino-3-[3-amino-6-(1-aminoethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol
IUPAC Name: 2-[4,6-diamino-3-[3-amino-6-(1-aminoethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
SYSTEMATIC NAME: 2-[4,6-bis(azanyl)-3-[3-azanyl-6-(1-azanylethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
MOLECULAR FORMULA: C20H41N5O9
MOLECULAR WEIGHT: 495.56764
SMILES: CC(C1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)O)O)N
Structure:
CAS RN: 51839-17-9
CAS Name: (2S)-2-amino-3-hydroxypropanoic acid; boric acid
OPENEYE Name: (2S)-2-amino-3-hydroxy-propanoic acid; boric acid
IUPAC Name: (2S)-2-amino-3-hydroxypropanoic acid; boric acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-oxidanyl-propanoic acid; boric acid
MOLECULAR FORMULA: C3H10BNO6
MOLECULAR WEIGHT: 166.9256
SMILES: B(O)(O)O.C([C@@H](C(=O)O)N)O
Structure:
CAS RN: 51821-38-6
CAS Name: N-methyl-9-acridinamine hydrochloride
OPENEYE Name: N-methylacridin-9-amine hydrochloride
IUPAC Name: N-methylacridin-9-amine hydrochloride
SYSTEMATIC NAME: N-methylacridin-9-amine hydrochloride
MOLECULAR FORMULA: C14H13ClN2
MOLECULAR WEIGHT: 244.71942
SMILES: CNC1=C2C=CC=CC2=NC3=CC=CC=C31.Cl
Structure:
CAS RN: 51820-71-4
CAS Name: acetic acid [(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl ester
OPENEYE Name: [(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
IUPAC Name: [(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
SYSTEMATIC NAME: [(4aS,6aR,6aS,6bR,10S,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl ethanoate
MOLECULAR FORMULA: C32H52O3
MOLECULAR WEIGHT: 484.75348
SMILES: CC(=O)OC[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@H]1CC(CC2)(C)C)C
Structure:
CAS RN: 51819-38-6
CAS Name: sodium; 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
OPENEYE Name: sodium; 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC Name: sodium; 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: sodium; 3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C29H33I6N5NaO13-
MOLECULAR WEIGHT: 1444.01461
SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.[Na+]
Structure:
CAS RN: 51818-56-5
CAS Name: 7,7-dimethyloctanoate; nickel(2+)
OPENEYE Name: nickelous 7,7-dimethyloctanoate
IUPAC Name: 7,7-dimethyloctanoate; nickel(2+)
SYSTEMATIC NAME: 7,7-dimethyloctanoate; nickel(2+)
MOLECULAR FORMULA: C20H38NiO4
MOLECULAR WEIGHT: 401.20672
SMILES: CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Ni+2]
Structure:
CAS RN: 51818-54-3
CAS Name: 2-[[2-[2-(2-aminoethylamino)ethylamino]ethylamino]methyl]phenol
OPENEYE Name: 2-[[2-[2-(2-aminoethylamino)ethylamino]ethylamino]methyl]phenol
IUPAC Name: 2-[[2-[2-(2-aminoethylamino)ethylamino]ethylamino]methyl]phenol
SYSTEMATIC NAME: 2-[[2-[2-(2-azanylethylamino)ethylamino]ethylamino]methyl]phenol
MOLECULAR FORMULA: C13H24N4O
MOLECULAR WEIGHT: 252.35586
SMILES: C1=CC=C(C(=C1)CNCCNCCNCCN)O
Structure:
CAS RN: 51794-04-8
CAS Name: acetic acid (8-acetyloxy-9-hydroxy-1-anthracenyl) ester
OPENEYE Name: (8-acetoxy-9-hydroxy-1-anthryl) acetate
IUPAC Name: (8-acetyloxy-9-hydroxyanthracen-1-yl) acetate
SYSTEMATIC NAME: (8-acetyloxy-9-oxidanyl-anthracen-1-yl) ethanoate
MOLECULAR FORMULA: C18H14O5
MOLECULAR WEIGHT: 310.30076
SMILES: CC(=O)OC1=CC=CC2=CC3=C(C(=CC=C3)OC(=O)C)C(=C21)O
Structure:
CAS RN: 51777-22-1
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl] dihydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl] dihydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] dihydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl] dihydrogen phosphate
MOLECULAR FORMULA: C10H15N5O9P2S
MOLECULAR WEIGHT: 443.266722
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)OP(=O)(O)O)O)O
Structure:
CAS RN: 51773-61-6
CAS Name: 2,10-diamino-6-[4-(2-amino-2-carboxyethyl)-1-imidazolyl]-5-[[(5-amino-5-carboxy-2-hydroxypentyl)amino]methyl]undecanedioic acid
OPENEYE Name: 2,10-diamino-6-[4-(2-amino-2-carboxy-ethyl)imidazol-1-yl]-5-[[(5-amino-5-carboxy-2-hydroxy-pentyl)amino]methyl]undecanedioic acid
IUPAC Name: 2,10-diamino-6-[4-(2-amino-2-carboxyethyl)imidazol-1-yl]-5-[[(5-amino-5-carboxy-2-hydroxypentyl)amino]methyl]undecanedioic acid
SYSTEMATIC NAME: 2,10-bis(azanyl)-5-[[[5-azanyl-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]amino]methyl]-6-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)imidazol-1-yl]undecanedioic acid
MOLECULAR FORMULA: C24H43N7O9
MOLECULAR WEIGHT: 573.63972
SMILES: C1=C(N=CN1C(CCCC(C(=O)O)N)C(CCC(C(=O)O)N)CNCC(CCC(C(=O)O)N)O)CC(C(=O)O)N
Structure:
CAS RN: 51733-03-0
CAS Name: 2-[3-[4-(diethylamino)phenyl]azo-2-(phenylmethyl)-1-pyrazol-1-iumyl]ethanol; zinc; tetrachloride
OPENEYE Name: 2-[2-benzyl-3-[4-(diethylamino)phenyl]azo-pyrazol-1-ium-1-yl]ethanol; zinc; tetrachloride
IUPAC Name: 2-[2-benzyl-3-[[4-(diethylamino)phenyl]diazenyl]pyrazol-1-ium-1-yl]ethanol; zinc; tetrachloride
SYSTEMATIC NAME: 2-[3-[[4-(diethylamino)phenyl]diazenyl]-2-(phenylmethyl)pyrazol-1-ium-1-yl]ethanol; zinc; tetrachloride
MOLECULAR FORMULA: C44H56Cl4N10O2Zn-2
MOLECULAR WEIGHT: 964.20224
SMILES: CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2CC3=CC=CC=C3)CCO.CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2CC3=CC=CC=C3)CCO.[Cl-].[Cl-].[Cl-].[Cl-].[Zn]
Structure:
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