CAS RN: 112375-44-7
CAS Name: (Z)-6-methyl-4-heptenoic acid methyl ester
OPENEYE Name: methyl (Z)-6-methylhept-4-enoate
IUPAC Name: methyl (Z)-6-methylhept-4-enoate
SYSTEMATIC NAME: methyl (Z)-6-methylhept-4-enoate
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: CC(C)/C=C\CCC(=O)OC
Structure:
CAS RN: 112375-43-6
CAS Name: (Z)-9-methyl-7-decenoic acid methyl ester
OPENEYE Name: methyl (Z)-9-methyldec-7-enoate
IUPAC Name: methyl (Z)-9-methyldec-7-enoate
SYSTEMATIC NAME: methyl (Z)-9-methyldec-7-enoate
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CC(C)/C=C\CCCCCC(=O)OC
Structure:
CAS RN: 112375-42-5
CAS Name: (Z)-8-methyl-6-nonenoic acid methyl ester
OPENEYE Name: methyl (Z)-8-methylnon-6-enoate
IUPAC Name: methyl (Z)-8-methylnon-6-enoate
SYSTEMATIC NAME: methyl (Z)-8-methylnon-6-enoate
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CC(C)/C=C\CCCCC(=O)OC
Structure:
CAS RN: 112375-41-4
CAS Name: (Z)-7-methyl-5-octenoic acid methyl ester
OPENEYE Name: methyl (Z)-7-methyloct-5-enoate
IUPAC Name: methyl (Z)-7-methyloct-5-enoate
SYSTEMATIC NAME: methyl (Z)-7-methyloct-5-enoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CC(C)/C=C\CCCC(=O)OC
Structure:
CAS RN: 112132-06-6
CAS Name: acetic acid [(2E,13Z)-octadeca-2,13-dienyl] ester; acetic acid [(3Z,13Z)-octadeca-3,13-dienyl] ester
OPENEYE Name: [(2E,13Z)-octadeca-2,13-dienyl] acetate; [(3Z,13Z)-octadeca-3,13-dienyl] acetate
IUPAC Name: [(2E,13Z)-octadeca-2,13-dienyl] acetate; [(3Z,13Z)-octadeca-3,13-dienyl] acetate
SYSTEMATIC NAME: [(2E,13Z)-octadeca-2,13-dienyl] ethanoate; [(3Z,13Z)-octadeca-3,13-dienyl] ethanoate
MOLECULAR FORMULA: C40H72O4
MOLECULAR WEIGHT: 616.99728
SMILES: CCCC/C=C\CCCCCCCCC/C=C/COC(=O)C.CCCC/C=C\CCCCCCCC/C=C\CCOC(=O)C
Structure:
CAS RN: 112078-76-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H43NO6
MOLECULAR WEIGHT: 513.66552
SMILES: C/C/1=C/CCC2(OC2C3OC(=O)C(C3CC1)CNCC4C(=O)OC5C4CC/C(=C\CCC6(C5O6)C)/C)C
Structure:
CAS RN: 111990-51-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H40O11
MOLECULAR WEIGHT: 576.632
SMILES: CCCCCC/C=C/C(=O)O[C@@H]1[C@@H]2[C@@]34CO[C@@]2([C@H](C([C@@H]3[C@]5(CC(=O)C(=C([C@@H]5C[C@H]4OC1=O)C)O)C)O)O)C(=O)OC
Structure:
CAS RN: 111937-68-9
CAS Name: (2E,4E)-12-oxododeca-2,4-dienoic acid
OPENEYE Name: (2E,4E)-12-oxododeca-2,4-dienoic acid
IUPAC Name: (2E,4E)-12-oxododeca-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-12-oxidanylidenedodeca-2,4-dienoic acid
MOLECULAR FORMULA: C12H18O3
MOLECULAR WEIGHT: 210.26952
SMILES: C(CCCC=O)CC/C=C/C=C/C(=O)O
Structure:
CAS RN: 111897-37-1
CAS Name: (7R,8S)-2,8-dihydroxy-3,8-dimethyl-7-[(E,4S)-4-methylhex-2-en-2-yl]-5,7-dihydropyrano[4,3-b]pyran-4-one
OPENEYE Name: (7R,8S)-7-[(E,3S)-1,3-dimethylpent-1-enyl]-2,8-dihydroxy-3,8-dimethyl-5,7-dihydropyrano[4,3-b]pyran-4-one
IUPAC Name: (7R,8S)-2,8-dihydroxy-3,8-dimethyl-7-[(E,4S)-4-methylhex-2-en-2-yl]-5,7-dihydropyrano[4,3-b]pyran-4-one
SYSTEMATIC NAME: (7R,8S)-3,8-dimethyl-7-[(E,4S)-4-methylhex-2-en-2-yl]-2,8-bis(oxidanyl)-5,7-dihydropyrano[4,3-b]pyran-4-one
MOLECULAR FORMULA: C17H24O5
MOLECULAR WEIGHT: 308.36946
SMILES: CC[C@H](C)/C=C(\C)/[C@@H]1[C@](C2=C(CO1)C(=O)C(=C(O2)O)C)(C)O
Structure:
CAS RN: 111870-32-7
CAS Name: 5-chloro-N-(4-fluorophenyl)-2-hydroxy-3-[(E)-2-nitroethenyl]benzamide
OPENEYE Name: 5-chloro-N-(4-fluorophenyl)-2-hydroxy-3-[(E)-2-nitrovinyl]benzamide
IUPAC Name: 5-chloro-N-(4-fluorophenyl)-2-hydroxy-3-[(E)-2-nitroethenyl]benzamide
SYSTEMATIC NAME: 5-chloranyl-N-(4-fluorophenyl)-3-[(E)-2-nitroethenyl]-2-oxidanyl-benzamide
MOLECULAR FORMULA: C15H10ClFN2O4
MOLECULAR WEIGHT: 336.702303
SMILES: C1=CC(=CC=C1NC(=O)C2=C(C(=CC(=C2)Cl)/C=C/[N+](=O)[O-])O)F
Structure:
CAS RN: 111870-31-6
CAS Name: 5-chloro-N-(4-chlorophenyl)-2-hydroxy-3-[(E)-2-nitroethenyl]benzamide
OPENEYE Name: 5-chloro-N-(4-chlorophenyl)-2-hydroxy-3-[(E)-2-nitrovinyl]benzamide
IUPAC Name: 5-chloro-N-(4-chlorophenyl)-2-hydroxy-3-[(E)-2-nitroethenyl]benzamide
SYSTEMATIC NAME: 5-chloranyl-N-(4-chlorophenyl)-3-[(E)-2-nitroethenyl]-2-oxidanyl-benzamide
MOLECULAR FORMULA: C15H10Cl2N2O4
MOLECULAR WEIGHT: 353.1569
SMILES: C1=CC(=CC=C1NC(=O)C2=C(C(=CC(=C2)Cl)/C=C/[N+](=O)[O-])O)Cl
Structure:
CAS RN: 111870-30-5
CAS Name: 5-chloro-2-hydroxy-3-[(E)-2-nitroethenyl]-N-phenylbenzamide
OPENEYE Name: 5-chloro-2-hydroxy-3-[(E)-2-nitrovinyl]-N-phenyl-benzamide
IUPAC Name: 5-chloro-2-hydroxy-3-[(E)-2-nitroethenyl]-N-phenylbenzamide
SYSTEMATIC NAME: 5-chloranyl-3-[(E)-2-nitroethenyl]-2-oxidanyl-N-phenyl-benzamide
MOLECULAR FORMULA: C15H11ClN2O4
MOLECULAR WEIGHT: 318.71184
SMILES: C1=CC=C(C=C1)NC(=O)C2=C(C(=CC(=C2)Cl)/C=C/[N+](=O)[O-])O
Structure:
CAS RN: 111870-29-2
CAS Name: 5-chloro-2-hydroxy-3-[(E)-2-nitroethenyl]benzoyl chloride
OPENEYE Name: 5-chloro-2-hydroxy-3-[(E)-2-nitrovinyl]benzoyl chloride
IUPAC Name: 5-chloro-2-hydroxy-3-[(E)-2-nitroethenyl]benzoyl chloride
SYSTEMATIC NAME: 5-chloranyl-3-[(E)-2-nitroethenyl]-2-oxidanyl-benzoyl chloride
MOLECULAR FORMULA: C9H5Cl2NO4
MOLECULAR WEIGHT: 262.0463
SMILES: C1=C(C=C(C(=C1C(=O)Cl)O)/C=C/[N+](=O)[O-])Cl
Structure:
CAS RN: 111870-28-1
CAS Name: 5-chloro-2-hydroxy-3-[(E)-2-nitroethenyl]benzoic acid
OPENEYE Name: 5-chloro-2-hydroxy-3-[(E)-2-nitrovinyl]benzoic acid
IUPAC Name: 5-chloro-2-hydroxy-3-[(E)-2-nitroethenyl]benzoic acid
SYSTEMATIC NAME: 5-chloranyl-3-[(E)-2-nitroethenyl]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C9H6ClNO5
MOLECULAR WEIGHT: 243.60064
SMILES: C1=C(C=C(C(=C1C(=O)O)O)/C=C/[N+](=O)[O-])Cl
Structure:
CAS RN: 111631-97-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H41NO6
MOLECULAR WEIGHT: 523.66034
SMILES: CC1C/C=C/C2C(C(=C)C(C3C2(C(/C=C/C(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=C(C=C4)OC)C)O
Structure:
CAS RN: 111625-64-0
CAS Name: 2-methylpropanoic acid [(3aS,4R,5Z,9R,10Z,11aR)-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(3aS,4R,5Z,9R,10Z,11aR)-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
IUPAC Name: [(3aS,4R,5Z,9R,10Z,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
SYSTEMATIC NAME: [(3aS,4R,5Z,9R,10Z,11aR)-6,10-dimethyl-3-methylidene-9-oxidanyl-2-oxidanylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
MOLECULAR FORMULA: C19H26O5
MOLECULAR WEIGHT: 334.40674
SMILES: C/C/1=C/[C@H]([C@H]2[C@@H](/C=C(\[C@@H](CC1)O)/C)OC(=O)C2=C)OC(=O)C(C)C
Structure:
CAS RN: 111607-88-6
CAS Name: 2-[(1E,3Z,7Z,11Z)-4,8,12-trimethyl-1-cyclotetradeca-1,3,7,11-tetraenyl]-2-propanol
OPENEYE Name: 2-[(1E,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-1,3,7,11-tetraen-1-yl]propan-2-ol
IUPAC Name: 2-[(1E,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-1,3,7,11-tetraen-1-yl]propan-2-ol
SYSTEMATIC NAME: 2-[(1E,3Z,7Z,11Z)-4,8,12-trimethylcyclotetradeca-1,3,7,11-tetraen-1-yl]propan-2-ol
MOLECULAR FORMULA: C20H32O
MOLECULAR WEIGHT: 288.46748
SMILES: C/C/1=C/CC/C(=C\C=C(/CC/C(=C\CC1)/C)\C(C)(C)O)/C
Structure:
CAS RN: 111380-44-0
CAS Name: (Z)-2-butenedioic acid; 1-[3-(dimethylamino)propylamino]-5-methyl-8-pyrido[4,3-b]indolol
OPENEYE Name: 1-[3-(dimethylamino)propylamino]-5-methyl-pyrido[4,3-b]indol-8-ol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-[3-(dimethylamino)propylamino]-5-methylpyrido[4,3-b]indol-8-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-[3-(dimethylamino)propylamino]-5-methyl-pyrido[4,3-b]indol-8-ol
MOLECULAR FORMULA: C25H30N4O9
MOLECULAR WEIGHT: 530.5271
SMILES: CN1C2=C(C(=NC=C2)NCCCN(C)C)C3=C1C=CC(=C3)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 111380-42-8
CAS Name: (Z)-2-butenedioic acid; 1-[3-(dimethylamino)propylamino]-5H-pyrido[4,3-b]indol-8-ol
OPENEYE Name: 1-[3-(dimethylamino)propylamino]-5H-pyrido[4,3-b]indol-8-ol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-[3-(dimethylamino)propylamino]-5H-pyrido[4,3-b]indol-8-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-[3-(dimethylamino)propylamino]-5H-pyrido[4,3-b]indol-8-ol
MOLECULAR FORMULA: C24H28N4O9
MOLECULAR WEIGHT: 516.50052
SMILES: CN(CCCNC1=NC=CC2=C1C3=C(N2)C=CC(=C3)O)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
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