CAS RN: 83898-60-6
CAS Name: (Z)-2-butenedioic acid O4-[didodecyl-[(Z)-4-methoxy-1,4-dioxobut-2-enoxy]stannyl] ester O1-methyl ester
OPENEYE Name: O4-[didodecyl-[(Z)-4-methoxy-4-oxo-but-2-enoyl]oxy-stannyl] O1-methyl (Z)-but-2-enedioate
IUPAC Name: 4-O-[didodecyl-[(Z)-4-methoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-methyl (Z)-but-2-enedioate
SYSTEMATIC NAME: O4-[didodecyl-[(Z)-4-methoxy-4-oxidanylidene-but-2-enoyl]oxy-stannyl] O1-methyl (Z)-but-2-enedioate
MOLECULAR FORMULA: C34H60O8Sn
MOLECULAR WEIGHT: 715.5454
SMILES: CCCCCCCCCCCC[Sn](OC(=O)/C=C\C(=O)OC)(OC(=O)/C=C\C(=O)OC)CCCCCCCCCCCC
CAS RN: 93981-81-8
CAS Name: 2-methylpropanoic acid (4-methyl-4-phenylpentan-2-yl) ester
OPENEYE Name: (1,3-dimethyl-3-phenyl-butyl) 2-methylpropanoate
IUPAC Name: (4-methyl-4-phenylpentan-2-yl) 2-methylpropanoate
SYSTEMATIC NAME: (4-methyl-4-phenyl-pentan-2-yl) 2-methylpropanoate
MOLECULAR FORMULA: C16H24O2
MOLECULAR WEIGHT: 248.36056
SMILES: CC(C)C(=O)OC(C)CC(C)(C)C1=CC=CC=C1
CAS RN: 93805-14-2
CAS Name: hexapotassium (3Z)-5-[[4-chloro-6-[4-[[4-chloro-6-[[(7Z)-8-oxo-3,6-disulfonato-7-[(2-sulfonatophenyl)hydrazinylidene]-1-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene
OPENEYE Name: hexapotassium (3Z)-5-[[4-chloro-6-[4-[[4-chloro-6-[[(7Z)-8-oxo-3,6-disulfonato-7-[(2-sulfonatophenyl)hydrazono]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate
IUPAC Name: hexapotassium (3Z)-5-[[4-chloro-6-[4-[[4-chloro-6-[[(7Z)-8-oxo-3,6-disulfonato-7-[(2-sulfonatophenyl)hydrazinylidene]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene
SYSTEMATIC NAME: hexapotassium (3Z)-5-[[4-chloranyl-6-[[4-[[4-chloranyl-6-[[(7Z)-8-oxidanylidene-3,6-disulfonato-7-[(2-sulfonatophenyl)hydrazinylidene]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-oxidanylidene-3-[(2-sulfonatoph
MOLECULAR FORMULA: C44H24Cl2K6N14O20S6
MOLECULAR WEIGHT: 1566.62896
SMILES: C1=CC=C(C(=C1)N/N=C\2/C(=O)C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)NC5=CC=C(C=C5)NC6=NC(=NC(=N6)Cl)NC7=C8C(=O)/C(=N/NC9=CC=CC=C9S(=O)(=O)[O-])/C(=CC8=CC(=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)S(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]
CAS RN: 72854-06-9
CAS Name: tetrasodium 2-[(E)-2-[4-[oxido-[4-[oxido-(4-sulfonatophenyl)iminoammonio]phenyl]iminoammonio]-2-sulfonatophenyl]ethenyl]-5-[4-(4-sulfonatophenyl)azophenyl]azobenzenesulfonate
OPENEYE Name: tetrasodium 2-[(E)-2-[4-[oxido-[4-[oxido-(4-sulfonatophenyl)imino-ammonio]phenyl]imino-ammonio]-2-sulfonato-phenyl]vinyl]-5-[4-(4-sulfonatophenyl)azophenyl]azo-benzenesulfonate
IUPAC Name: tetrasodium 2-[(E)-2-[4-[oxido-[4-[oxido-(4-sulfonatophenyl)iminoazaniumyl]phenyl]iminoazaniumyl]-2-sulfonatophenyl]ethenyl]-5-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate
SYSTEMATIC NAME: tetrasodium 2-[(E)-2-[4-[oxidanidyl-[4-[oxidanidyl-(4-sulfonatophenyl)imino-azaniumyl]phenyl]imino-azaniumyl]-2-sulfonato-phenyl]ethenyl]-5-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate
MOLECULAR FORMULA: C38H24N8Na4O14S4
MOLECULAR WEIGHT: 1036.86144
SMILES: C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])N=NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)[N+](=NC5=CC=C(C=C5)[N+](=NC6=CC=C(C=C6)S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
CAS RN: 83221-72-1
CAS Name: lithium sodium (6Z)-4-amino-3-[4-(2,4-diaminophenyl)azophenyl]azo-6-[[4-(2,4-diaminophenyl)azophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate
OPENEYE Name: lithium sodium (6Z)-4-amino-3-[4-(2,4-diaminophenyl)azophenyl]azo-6-[[4-(2,4-diaminophenyl)azophenyl]hydrazono]-5-oxo-naphthalene-2,7-disulfonate
IUPAC Name: lithium sodium (6Z)-4-amino-3-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: lithium sodium (6Z)-4-azanyl-3-[[4-[[2,4-bis(azanyl)phenyl]diazenyl]phenyl]diazenyl]-6-[[4-[[2,4-bis(azanyl)phenyl]diazenyl]phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C34H27LiN13NaO7S2
MOLECULAR WEIGHT: 823.72185
SMILES: [Li+].C1=CC(=CC=C1N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)N=NC5=C(C=C(C=C5)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=C(C=C6)N)N.[Na+]
CAS RN: 121575-61-9
CAS Name: N-[2-chloro-4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]phenyl]-N'-[4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]phenyl]-N'-methylethane-1,2-diamine sulfate
OPENEYE Name: N-[2-chloro-4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]phenyl]-N'-[4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]phenyl]-N'-methyl-ethane-1,2-diamine sulfate
IUPAC Name: N-[2-chloro-4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]phenyl]-N'-[4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]phenyl]-N'-methylethane-1,2-diamine sulfate
SYSTEMATIC NAME: N-[2-chloranyl-4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]phenyl]-N'-[4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]phenyl]-N'-methyl-ethane-1,2-diamine sulfate
MOLECULAR FORMULA: C23H29ClN12O4S
MOLECULAR WEIGHT: 605.07236
SMILES: CN1C=[N+](C(=N1)N=NC2=CC=C(C=C2)N(C)CCNC3=C(C=C(C=C3)N=NC4=NN(C=[N+]4C)C)Cl)C.[O-]S(=O)(=O)[O-]
CAS RN: 76234-43-0
CAS Name: (2S)-5-oxo-2-pyrrolidinecarboxylic acid [2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] (2S)-5-oxopyrrolidine-2-carboxylate
IUPAC Name: [2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] (2S)-5-oxopyrrolidine-2-carboxylate
SYSTEMATIC NAME: [2-[(10R,11S,13S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] (2S)-5-oxidanylidenepyrrolidine-2-carboxylate
MOLECULAR FORMULA: C26H35NO7
MOLECULAR WEIGHT: 473.5586
SMILES: C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(C(=O)COC(=O)[C@@H]5CCC(=O)N5)O)C)O
CAS RN: 102286-65-7
CAS Name: 7,7-dimethyloctanoic acid 2-oxiranylmethyl ester; 2,2-dimethylpropane-1,3-diol
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; oxiran-2-ylmethyl 7,7-dimethyloctanoate
IUPAC Name: 2,2-dimethylpropane-1,3-diol; oxiran-2-ylmethyl 7,7-dimethyloctanoate
SYSTEMATIC NAME: 2,2-dimethylpropane-1,3-diol; oxiran-2-ylmethyl 7,7-dimethyloctanoate
MOLECULAR FORMULA: C18H36O5
MOLECULAR WEIGHT: 332.47544
SMILES: CC(C)(C)CCCCCC(=O)OCC1CO1.CC(C)(CO)CO
CAS RN: 148981-11-7
CAS Name: 5-(3-acetyl-2,4,6-trimethylphenyl)-2-[(1E)-1-ethoxyiminopropyl]cyclohexane-1,3-dione
OPENEYE Name: 5-(3-acetyl-2,4,6-trimethyl-phenyl)-2-[(E)-N-ethoxy-C-ethyl-carbonimidoyl]cyclohexane-1,3-dione
IUPAC Name: 5-(3-acetyl-2,4,6-trimethylphenyl)-2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]cyclohexane-1,3-dione
SYSTEMATIC NAME: 5-(3-ethanoyl-2,4,6-trimethyl-phenyl)-2-[(E)-N-ethoxy-C-ethyl-carbonimidoyl]cyclohexane-1,3-dione
MOLECULAR FORMULA: C22H29NO4
MOLECULAR WEIGHT: 371.46996
SMILES: CC/C(=N\OCC)/C1C(=O)CC(CC1=O)C2=C(C=C(C(=C2C)C(=O)C)C)C
CAS RN: 71850-12-9
CAS Name: benzene-1,2-dicarboxylic acid O1-hexyl ester O2-(6-methylheptyl) ester
OPENEYE Name: O1-hexyl O2-(6-methylheptyl) benzene-1,2-dicarboxylate
IUPAC Name: 1-O-hexyl 2-O-(6-methylheptyl) benzene-1,2-dicarboxylate
SYSTEMATIC NAME: O1-hexyl O2-(6-methylheptyl) benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C22H34O4
MOLECULAR WEIGHT: 362.50296
SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C
CAS RN: 143984-08-1
CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-1-oxo-3-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]propyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxypropanoic acid
OPENEYE Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoic acid
IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C34H58N4O7S
MOLECULAR WEIGHT: 666.91192
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C
CAS RN: 125328-89-4
CAS Name: 1-[1-[1-[1-(2-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-2-propanol
OPENEYE Name: 1-[1-methyl-2-[1-methyl-2-[1-methyl-2-(2-methylpentoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
IUPAC Name: 1-[1-[1-[1-(2-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
SYSTEMATIC NAME: 1-[1-[1-[1-(2-methylpentoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
MOLECULAR FORMULA: C18H38O5
MOLECULAR WEIGHT: 334.49132
SMILES: CCCC(C)COCC(C)OCC(C)OCC(C)OCC(C)O
CAS RN: 71721-00-1
CAS Name: 3-(3-mercapto-2-methyl-1-oxopropyl)-4-thiazolidinecarboxylic acid; 2-methyl-2-propanamine
OPENEYE Name: 2-methylpropan-2-amine; 3-(2-methyl-3-sulfanyl-propanoyl)thiazolidine-4-carboxylic acid
IUPAC Name: 2-methylpropan-2-amine; 3-(2-methyl-3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: 2-methylpropan-2-amine; 3-(2-methyl-3-sulfanyl-propanoyl)-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C12H24N2O3S2
MOLECULAR WEIGHT: 308.46056
SMILES: CC(CS)C(=O)N1CSCC1C(=O)O.CC(C)(C)N
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