CAS RN: 67674-19-5
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C24H47NO5
MOLECULAR WEIGHT: 429.63368
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 67633-85-6
CAS Name: 1,4-diazabicyclo[2.2.2]octane; (Z)-9-octadecenoic acid
OPENEYE Name: 1,4-diazabicyclo[2.2.2]octane; (Z)-octadec-9-enoic acid
IUPAC Name: 1,4-diazabicyclo[2.2.2]octane; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: 1,4-diazabicyclo[2.2.2]octane; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C24H46N2O2
MOLECULAR WEIGHT: 394.63424
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.C1CN2CCN1CC2
Structure:
CAS RN: 67633-84-5
CAS Name: N-cyclohexyl-N-methylcyclohexanamine; (Z)-9-octadecenoic acid
OPENEYE Name: N-cyclohexyl-N-methyl-cyclohexanamine; (Z)-octadec-9-enoic acid
IUPAC Name: N-cyclohexyl-N-methylcyclohexanamine; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: N-cyclohexyl-N-methyl-cyclohexanamine; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C31H59NO2
MOLECULAR WEIGHT: 477.80566
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CN(C1CCCCC1)C2CCCCC2
Structure:
CAS RN: 67110-79-6
CAS Name: (Z)-7-[(1R,2S,3S,5R)-2-[[(2R)-3-(3-chlorophenoxy)-2-hydroxypropyl]thio]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2S,3S,5R)-2-[(2R)-3-(3-chlorophenoxy)-2-hydroxy-propyl]sulfanyl-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2S,3S,5R)-2-[(2R)-3-(3-chlorophenoxy)-2-hydroxypropyl]sulfanyl-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2S,3S,5R)-2-[(2R)-3-(3-chloranylphenoxy)-2-oxidanyl-propyl]sulfanyl-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C21H29ClO6S
MOLECULAR WEIGHT: 444.96936
SMILES: C1[C@H]([C@H]([C@@H]([C@H]1O)SC[C@@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 88270-44-4
CAS Name: (Z)-7-[(1R,2S,3S,5R)-2-[[(2R)-3-(3-chlorophenoxy)-2-hydroxypropyl]thio]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2S,3S,5R)-2-[(2R)-3-(3-chlorophenoxy)-2-hydroxy-propyl]sulfanyl-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2S,3S,5R)-2-[(2R)-3-(3-chlorophenoxy)-2-hydroxypropyl]sulfanyl-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2S,3S,5R)-2-[(2R)-3-(3-chloranylphenoxy)-2-oxidanyl-propyl]sulfanyl-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C21H29ClO6S
MOLECULAR WEIGHT: 444.96936
SMILES: C1[C@H]([C@H]([C@@H]([C@H]1O)SC[C@@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 66492-97-5
CAS Name: (5Z)-5-(1H-indol-3-ylmethylidene)-1,3-dimethyl-2-methylimino-4-imidazolidinone
OPENEYE Name: (5Z)-5-(1H-indol-3-ylmethylene)-1,3-dimethyl-2-methylimino-imidazolidin-4-one
IUPAC Name: (5Z)-5-(1H-indol-3-ylmethylidene)-1,3-dimethyl-2-methyliminoimidazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-(1H-indol-3-ylmethylidene)-1,3-dimethyl-2-methylimino-imidazolidin-4-one
MOLECULAR FORMULA: C15H16N4O
MOLECULAR WEIGHT: 268.31374
SMILES: CN=C1N(/C(=C\C2=CNC3=CC=CC=C32)/C(=O)N1C)C
Structure:
CAS RN: 65947-11-7
CAS Name: propanoic acid [(6E,14E)-9-[[5-[(5-acetyloxy-4-hydroxy-4,6-dimethyl-2-oxanyl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-7-yl] ester
OPENEYE Name: [(6E,14E)-9-[5-(5-acetoxy-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-7-yl] propanoate
IUPAC Name: [(6E,14E)-9-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-7-yl] propanoate
SYSTEMATIC NAME: [(6E,14E)-9-[5-(5-acetyloxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl)oxy-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-8-methoxy-3,12-dimethyl-13-oxidanyl-5-oxidanylidene-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-7-yl] propanoa
MOLECULAR FORMULA: C40H63NO16
MOLECULAR WEIGHT: 813.92532
SMILES: CCC(=O)O/C/1=C/C(=O)OC(CC2C(O2)/C=C/C(C(CC(C(C1OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)C)(C)O)N(C)C)O)CC=O)C)O)C
Structure:
CAS RN: 65652-36-0
CAS Name: (Z)-4-butan-2-yloxy-4-oxo-2-butenoic acid; furan-2,5-dione; (Z)-4-methoxy-4-oxo-2-butenoic acid; styrene
OPENEYE Name: furan-2,5-dione; (Z)-4-methoxy-4-oxo-but-2-enoic acid; (Z)-4-oxo-4-sec-butoxy-but-2-enoic acid; styrene
IUPAC Name: (Z)-4-butan-2-yloxy-4-oxobut-2-enoic acid; furan-2,5-dione; (Z)-4-methoxy-4-oxobut-2-enoic acid; styrene
SYSTEMATIC NAME: (Z)-4-butan-2-yloxy-4-oxidanylidene-but-2-enoic acid; ethenylbenzene; furan-2,5-dione; (Z)-4-methoxy-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C25H28O11
MOLECULAR WEIGHT: 504.48322
SMILES: CCC(C)OC(=O)/C=C\C(=O)O.COC(=O)/C=C\C(=O)O.C=CC1=CC=CC=C1.C1=CC(=O)OC1=O
Structure:
CAS RN: 65622-94-8
CAS Name: (E)-2,5-dimethyl-2-hexenoic acid; 2-methyl-2-propenoic acid 2-(dimethylamino)ethyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid; 2-propenoic acid 2-hydroxyethyl ester
OPENEYE Name: acrylic acid; 2-(dimethylamino)ethyl 2-methylprop-2-enoate; (E)-2,5-dimethylhex-2-enoic acid; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate
IUPAC Name: 2-(dimethylamino)ethyl 2-methylprop-2-enoate; (E)-2,5-dimethylhex-2-enoic acid; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 2-methylprop-2-enoate; (E)-2,5-dimethylhex-2-enoic acid; 2-hydroxyethyl prop-2-enoate; methyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C29H49NO11
MOLECULAR WEIGHT: 587.69946
SMILES: CC(C)C/C=C(\C)/C(=O)O.CC(=C)C(=O)OC.CC(=C)C(=O)OCCN(C)C.C=CC(=O)O.C=CC(=O)OCCO
Structure:
CAS RN: 57432-60-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H43N5O9
MOLECULAR WEIGHT: 677.74402
SMILES: CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 57323-08-7
CAS Name: (E)-4-(2-oxanyloxy)-2-butenal
OPENEYE Name: (E)-4-tetrahydropyran-2-yloxybut-2-enal
IUPAC Name: (E)-4-(oxan-2-yloxy)but-2-enal
SYSTEMATIC NAME: (E)-4-(oxan-2-yloxy)but-2-enal
MOLECULAR FORMULA: C9H14O3
MOLECULAR WEIGHT: 170.20566
SMILES: C1CCOC(C1)OC/C=C/C=O
Structure:
CAS RN: 57100-32-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H36O10
MOLECULAR WEIGHT: 544.59014
SMILES: CC1=CC2C3(CC1)COC(=O)/C=C\4/CCOC5(C4OC(C5O)O)CC/C=C/C(=O)OC6C3(C7(CO7)C(C6)O2)C
Structure:
CAS RN: 56472-43-6
CAS Name: (Z)-2-amino-9-octadecenoic acid
OPENEYE Name: (Z)-2-aminooctadec-9-enoic acid
IUPAC Name: (Z)-2-aminooctadec-9-enoic acid
SYSTEMATIC NAME: (Z)-2-azanyloctadec-9-enoic acid
MOLECULAR FORMULA: C18H35NO2
MOLECULAR WEIGHT: 297.476
SMILES: CCCCCCCC/C=C\CCCCCCC(C(=O)O)N
Structure:
CAS RN: 56190-26-2
CAS Name: hexasodium 2-[[4-(3-acetamidopropylamino)-6-[4-[(E)-2-[4-[[4-(3-acetamidopropylamino)-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
OPENEYE Name: hexasodium 2-[[4-(3-acetamidopropylamino)-6-[4-[(E)-2-[4-[[4-(3-acetamidopropylamino)-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
IUPAC Name: hexasodium 2-[[4-(3-acetamidopropylamino)-6-[4-[(E)-2-[4-[[4-(3-acetamidopropylamino)-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
SYSTEMATIC NAME: hexasodium 2-[[4-(3-acetamidopropylamino)-6-[[4-[(E)-2-[4-[[4-(3-acetamidopropylamino)-6-[(2,5-disulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
MOLECULAR FORMULA: C42H40N14Na6O20S6
MOLECULAR WEIGHT: 1391.17742
SMILES: CC(=O)NCCCNC1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NCCCNC(=O)C)NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
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