CAS RN: 152103-09-8
CAS Name: hexanedioic acid; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
OPENEYE Name: adipic acid; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
IUPAC Name: hexanedioic acid; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
SYSTEMATIC NAME: hexanedioic acid; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
MOLECULAR FORMULA: C27H34N2O8
MOLECULAR WEIGHT: 514.56746
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 213763-06-5
CAS Name: 2-methylenebutanoic acid; 2-methyl-2-propenoic acid; 2-propenoic acid butyl ester
OPENEYE Name: butyl prop-2-enoate; 2-methylenebutanoic acid; 2-methylprop-2-enoic acid
IUPAC Name: butyl prop-2-enoate; 2-methylidenebutanoic acid; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: butyl prop-2-enoate; 2-methylidenebutanoic acid; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C16H26O6
MOLECULAR WEIGHT: 314.37404
SMILES: CCCCOC(=O)C=C.CCC(=C)C(=O)O.CC(=C)C(=O)O
Structure:
CAS RN: 141386-27-8
CAS Name: ethene; furan-2,5-dione; 1-propene
OPENEYE Name: ethylene; furan-2,5-dione; prop-1-ene
IUPAC Name: ethene; furan-2,5-dione; prop-1-ene
SYSTEMATIC NAME: ethene; furan-2,5-dione; prop-1-ene
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: CC=C.C=C.C1=CC(=O)OC1=O
Structure:
CAS RN: 157797-76-7
CAS Name: trimethoxy-[3-(4-morpholinyl)propyl]silane
OPENEYE Name: trimethoxy(3-morpholinopropyl)silane
IUPAC Name: trimethoxy(3-morpholin-4-ylpropyl)silane
SYSTEMATIC NAME: trimethoxy(3-morpholin-4-ylpropyl)silane
MOLECULAR FORMULA: C10H23NO4Si
MOLECULAR WEIGHT: 249.37942
SMILES: CO[Si](CCCN1CCOCC1)(OC)OC
Structure:
CAS RN: 35841-67-9
CAS Name: (3R)-3-(3-methyl-1-oxobutoxy)-4-(trimethylammonio)butanoate
OPENEYE Name: (3R)-3-(3-methylbutanoyloxy)-4-(trimethylammonio)butanoate
IUPAC Name: (3R)-3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate
SYSTEMATIC NAME: (3R)-3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate
MOLECULAR FORMULA: C12H23NO4
MOLECULAR WEIGHT: 245.31532
SMILES: CC(C)CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
Structure:
CAS RN: 31023-24-2
CAS Name: (3R)-3-(3-methyl-1-oxobutoxy)-4-(trimethylammonio)butanoate
OPENEYE Name: (3R)-3-(3-methylbutanoyloxy)-4-(trimethylammonio)butanoate
IUPAC Name: (3R)-3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate
SYSTEMATIC NAME: (3R)-3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate
MOLECULAR FORMULA: C12H23NO4
MOLECULAR WEIGHT: 245.31532
SMILES: CC(C)CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
Structure:
CAS RN: 35841-62-4
CAS Name: (3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
OPENEYE Name: (3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
IUPAC Name: (3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
SYSTEMATIC NAME: (3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
MOLECULAR FORMULA: C23H28O7
MOLECULAR WEIGHT: 416.46422
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OC
Structure:
CAS RN: 31006-50-5
CAS Name: silver; 4-[10,15,20-tris(4-sulfonatophenyl)-5-porphyrin-22,23-diidyl]benzenesulfonate
OPENEYE Name: silver; 4-[10,15,20-tris(4-sulfonatophenyl)porphyrin-22,23-diid-5-yl]benzenesulfonate
IUPAC Name: silver; 4-[10,15,20-tris(4-sulfonatophenyl)porphyrin-22,23-diid-5-yl]benzenesulfonate
SYSTEMATIC NAME: silver; 4-[10,15,20-tris(4-sulfonatophenyl)porphyrin-22,23-diid-5-yl]benzenesulfonate
MOLECULAR FORMULA: C44H24AgN4O12S4-6
MOLECULAR WEIGHT: 1036.80916
SMILES: C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)[O-])C8=CC=C(C=C8)S(=O)(=O)[O-])C9=CC=C(C=C9)S(=O)(=O)[O-])[N-]3)S(=O)(=O)[O-].[Ag]
Structure:
CAS RN: 31004-76-9
CAS Name: 3-ethyl-3-methyl-2-oxolanone
OPENEYE Name: 3-ethyl-3-methyl-tetrahydrofuran-2-one
IUPAC Name: 3-ethyl-3-methyloxolan-2-one
SYSTEMATIC NAME: 3-ethyl-3-methyl-oxolan-2-one
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCC1(CCOC1=O)C
Structure:
CAS RN: 111373-09-2
CAS Name: 5-[4-benzoyl-3-[(6-diazonio-5-oxido-1-naphthalenyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-1-naphthalenolate
OPENEYE Name: 5-[4-benzoyl-3-[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenoxy]sulfonyl-2-diazonio-naphthalen-1-olate
IUPAC Name: 5-[4-benzoyl-3-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxyphenoxy]sulfonyl-2-diazonionaphthalen-1-olate
SYSTEMATIC NAME: 2-diazonio-5-[3-(6-diazonio-5-oxidanidyl-naphthalen-1-yl)sulfonyloxy-4-(phenylcarbonyl)phenoxy]sulfonyl-naphthalen-1-olate
MOLECULAR FORMULA: C33H18N4O9S2
MOLECULAR WEIGHT: 678.64742
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CC(=C4[O-])[N+]#N)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N
Structure:
CAS RN: 136462-70-9
CAS Name: acetic acid ethenyl ester; 2-propenoic acid ethyl ester; 2-propenoic acid 2-ethylhexyl ester
OPENEYE Name: 2-ethylhexyl prop-2-enoate; ethyl prop-2-enoate; vinyl acetate
IUPAC Name: ethenyl acetate; 2-ethylhexyl prop-2-enoate; ethyl prop-2-enoate
SYSTEMATIC NAME: ethenyl ethanoate; 2-ethylhexyl prop-2-enoate; ethyl prop-2-enoate
MOLECULAR FORMULA: C20H34O6
MOLECULAR WEIGHT: 370.48036
SMILES: CCCCC(CC)COC(=O)C=C.CCOC(=O)C=C.CC(=O)OC=C
Structure:
CAS RN: 35665-49-7
CAS Name: 3-(1,3-benzodioxol-5-yl)propanal
OPENEYE Name: 3-(1,3-benzodioxol-5-yl)propanal
IUPAC Name: 3-(1,3-benzodioxol-5-yl)propanal
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)propanal
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: C1OC2=C(O1)C=C(C=C2)CCC=O
Structure:
CAS RN: 28117-21-7
CAS Name: 2-[(1R,2S)-1-methyl-2-(1-methylethenyl)cyclobutyl]ethanol
OPENEYE Name: 2-[(1R,2S)-2-isopropenyl-1-methyl-cyclobutyl]ethanol
IUPAC Name: 2-[(1R,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethanol
SYSTEMATIC NAME: 2-[(1R,2S)-1-methyl-2-prop-1-en-2-yl-cyclobutyl]ethanol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC(=C)[C@@H]1CC[C@]1(C)CCO
Structure:
CAS RN: 28376-49-0
CAS Name: 2-methyl-2-propenoic acid dodecyl ester; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: dodecyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
IUPAC Name: dodecyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: dodecyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C21H38O4
MOLECULAR WEIGHT: 354.52402
SMILES: CCCCCCCCCCCCOC(=O)C(=C)C.CC(=C)C(=O)OC
Structure:
CAS RN: 30795-63-2
CAS Name: 2-methyl-2-propenoic acid dodecyl ester; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: dodecyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
IUPAC Name: dodecyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: dodecyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C21H38O4
MOLECULAR WEIGHT: 354.52402
SMILES: CCCCCCCCCCCCOC(=O)C(=C)C.CC(=C)C(=O)OC
Structure:
CAS RN: 27174-96-5
CAS Name: N1',N1'-dimethylpropane-1,1-diamine
OPENEYE Name: N1',N1'-dimethylpropane-1,1-diamine
IUPAC Name: 1-N',1-N'-dimethylpropane-1,1-diamine
SYSTEMATIC NAME: N1',N1'-dimethylpropane-1,1-diamine
MOLECULAR FORMULA: C5H14N2
MOLECULAR WEIGHT: 102.17806
SMILES: CCC(N)N(C)C
Structure:
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