CAS RN: 26942-95-0
CAS Name: 16-methylheptadecanoic acid 2,3-bis(16-methyl-1-oxoheptadecoxy)propyl ester
OPENEYE Name: 2,3-bis(16-methylheptadecanoyloxy)propyl 16-methylheptadecanoate
IUPAC Name: 2,3-bis(16-methylheptadecanoyloxy)propyl 16-methylheptadecanoate
SYSTEMATIC NAME: 2,3-bis(16-methylheptadecanoyloxy)propyl 16-methylheptadecanoate
MOLECULAR FORMULA: C57H110O6
MOLECULAR WEIGHT: 891.4797
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C
Structure:
CAS RN: 102561-56-8
CAS Name: 4-[2-(4-aminocyclohexyl)propan-2-yl]-1-cyclohexanamine; 2-azepanone; hexane-1,6-diamine; hexanedioic acid
OPENEYE Name: adipic acid; 4-[1-(4-aminocyclohexyl)-1-methyl-ethyl]cyclohexanamine; azepan-2-one; hexane-1,6-diamine
IUPAC Name: 4-[2-(4-aminocyclohexyl)propan-2-yl]cyclohexan-1-amine; azepan-2-one; hexane-1,6-diamine; hexanedioic acid
SYSTEMATIC NAME: 4-[2-(4-azanylcyclohexyl)propan-2-yl]cyclohexan-1-amine; azepan-2-one; hexane-1,6-diamine; hexanedioic acid
MOLECULAR FORMULA: C33H67N5O5
MOLECULAR WEIGHT: 613.91558
SMILES: CC(C)(C1CCC(CC1)N)C2CCC(CC2)N.C1CCC(=O)NCC1.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 26929-65-7
CAS Name: 1-[(2R,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-3-azido-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11N5O5
MOLECULAR WEIGHT: 269.21414
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-]
Structure:
CAS RN: 32449-61-9
CAS Name: (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-3-(acetoxymethyl)-7-[(2-benzylsulfanylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[(2-benzylsulfanylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-3-(acetyloxymethyl)-8-oxidanylidene-7-[2-(phenylmethylsulfanyl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C19H20N2O6S2
MOLECULAR WEIGHT: 436.5019
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSCC3=CC=CC=C3)SC1)C(=O)O
Structure:
CAS RN: 115708-76-4
CAS Name: 2-methylenehexanoic acid; 2-methyl-2-propenoic acid 2-hydroxyethyl ester; styrene
OPENEYE Name: 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylenehexanoic acid; styrene
IUPAC Name: 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylidenehexanoic acid; styrene
SYSTEMATIC NAME: ethenylbenzene; 2-hydroxyethyl 2-methylprop-2-enoate; 2-methylidenehexanoic acid
MOLECULAR FORMULA: C21H30O5
MOLECULAR WEIGHT: 362.4599
SMILES: CCCCC(=C)C(=O)O.CC(=C)C(=O)OCCO.C=CC1=CC=CC=C1
Structure:
CAS RN: 26914-43-2
CAS Name: 2-ethenylbenzenesulfonic acid
OPENEYE Name: 2-vinylbenzenesulfonic acid
IUPAC Name: 2-ethenylbenzenesulfonic acid
SYSTEMATIC NAME: 2-ethenylbenzenesulfonic acid
MOLECULAR FORMULA: C8H8O3S
MOLECULAR WEIGHT: 184.21232
SMILES: C=CC1=CC=CC=C1S(=O)(=O)O
Structure:
CAS RN: 26898-31-7
CAS Name: 2-methyl-2-propenoic acid butyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid
OPENEYE Name: acrylic acid; butyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
IUPAC Name: butyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C16H26O6
MOLECULAR WEIGHT: 314.37404
SMILES: CCCCOC(=O)C(=C)C.CC(=C)C(=O)OC.C=CC(=O)O
Structure:
CAS RN: 32322-78-4
CAS Name: (2R)-1-(tert-butylamino)-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-2-propanol
OPENEYE Name: (2R)-1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
IUPAC Name: (2R)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
SYSTEMATIC NAME: (2R)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
MOLECULAR FORMULA: C13H24N4O3S
MOLECULAR WEIGHT: 316.41966
SMILES: CC(C)(C)NC[C@H](COC1=NSN=C1N2CCOCC2)O
Structure:
CAS RN: 1333-72-8
CAS Name: octadecanoic acid [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] ester
OPENEYE Name: [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] octadecanoate
IUPAC Name: [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] octadecanoate
SYSTEMATIC NAME: [(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl] octadecanoate
MOLECULAR FORMULA: C24H48O7
MOLECULAR WEIGHT: 448.63372
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Structure:
CAS RN: 154530-51-5
CAS Name: furan-2,5-dione; 2-methyl-2-propenoic acid methyl ester; styrene
OPENEYE Name: furan-2,5-dione; methyl 2-methylprop-2-enoate; styrene
IUPAC Name: furan-2,5-dione; methyl 2-methylprop-2-enoate; styrene
SYSTEMATIC NAME: ethenylbenzene; furan-2,5-dione; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C17H18O5
MOLECULAR WEIGHT: 302.32182
SMILES: CC(=C)C(=O)OC.C=CC1=CC=CC=C1.C1=CC(=O)OC1=O
Structure:
CAS RN: 161026-16-0
CAS Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; ethylene glycol; terephthalic acid
IUPAC Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
SYSTEMATIC NAME: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
MOLECULAR FORMULA: C15H24O8
MOLECULAR WEIGHT: 332.34626
SMILES: CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O
Structure:
CAS RN: 179919-39-2
CAS Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; ethylene glycol; terephthalic acid
IUPAC Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
SYSTEMATIC NAME: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
MOLECULAR FORMULA: C15H24O8
MOLECULAR WEIGHT: 332.34626
SMILES: CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O
Structure:
CAS RN: 192706-22-2
CAS Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; ethylene glycol; terephthalic acid
IUPAC Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
SYSTEMATIC NAME: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
MOLECULAR FORMULA: C15H24O8
MOLECULAR WEIGHT: 332.34626
SMILES: CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O
Structure:
CAS RN: 374727-04-5
CAS Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; ethylene glycol; terephthalic acid
IUPAC Name: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
SYSTEMATIC NAME: 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; terephthalic acid
MOLECULAR FORMULA: C15H24O8
MOLECULAR WEIGHT: 332.34626
SMILES: CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O
Structure:
CAS RN: 124123-50-8
CAS Name: azacyclotetradecan-2-one; 2-azepanone; hexane-1,6-diamine; hexanedioic acid
OPENEYE Name: adipic acid; azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine
IUPAC Name: azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine; hexanedioic acid
SYSTEMATIC NAME: 1-azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine; hexanedioic acid
MOLECULAR FORMULA: C31H62N4O6
MOLECULAR WEIGHT: 586.84718
SMILES: C1CCCCCCNC(=O)CCCCC1.C1CCC(=O)NCC1.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 127004-49-3
CAS Name: azacyclotetradecan-2-one; 2-azepanone; hexane-1,6-diamine; hexanedioic acid
OPENEYE Name: adipic acid; azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine
IUPAC Name: azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine; hexanedioic acid
SYSTEMATIC NAME: 1-azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine; hexanedioic acid
MOLECULAR FORMULA: C31H62N4O6
MOLECULAR WEIGHT: 586.84718
SMILES: C1CCCCCCNC(=O)CCCCC1.C1CCC(=O)NCC1.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 26777-62-8
CAS Name: azacyclotetradecan-2-one; 2-azepanone; hexane-1,6-diamine; hexanedioic acid
OPENEYE Name: adipic acid; azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine
IUPAC Name: azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine; hexanedioic acid
SYSTEMATIC NAME: 1-azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine; hexanedioic acid
MOLECULAR FORMULA: C31H62N4O6
MOLECULAR WEIGHT: 586.84718
SMILES: C1CCCCCCNC(=O)CCCCC1.C1CCC(=O)NCC1.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 39385-68-7
CAS Name: azacyclotetradecan-2-one; 2-azepanone; hexane-1,6-diamine; hexanedioic acid
OPENEYE Name: adipic acid; azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine
IUPAC Name: azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine; hexanedioic acid
SYSTEMATIC NAME: 1-azacyclotetradecan-2-one; azepan-2-one; hexane-1,6-diamine; hexanedioic acid
MOLECULAR FORMULA: C31H62N4O6
MOLECULAR WEIGHT: 586.84718
SMILES: C1CCCCCCNC(=O)CCCCC1.C1CCC(=O)NCC1.C(CCCN)CCN.C(CCC(=O)O)CC(=O)O
Structure:
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