CAS RN: 70288-91-4
CAS Name: acetic acid [(9Z,18E)-tetraconta-9,18-dienyl] ester
OPENEYE Name: [(9Z,18E)-tetraconta-9,18-dienyl] acetate
IUPAC Name: [(9Z,18E)-tetraconta-9,18-dienyl] acetate
SYSTEMATIC NAME: [(9Z,18E)-tetraconta-9,18-dienyl] ethanoate
MOLECULAR FORMULA: C42H80O2
MOLECULAR WEIGHT: 617.0834
SMILES: CCCCCCCCCCCCCCCCCCCCC/C=C/CCCCCCC/C=C\CCCCCCCCOC(=O)C
Structure:
CAS RN: 70028-77-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H38O6
MOLECULAR WEIGHT: 470.59772
SMILES: CCC/C=C/C=C\C(=O)O[C@@H]1[C@H]([C@@]2([C@@H]3C=C(C(=O)[C@@H]3CC(=C[C@H]2[C@H]4[C@@]1(C4(C)C)O)CO)C)O)C
Structure:
CAS RN: 68810-10-6
CAS Name: (2Z)-7-amino-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-13-one
OPENEYE Name: (2Z)-7-amino-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-13-one
IUPAC Name: (2Z)-7-amino-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-13-one
SYSTEMATIC NAME: (2Z)-7-azanyl-11-methyl-15,17-bis(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-13-one
MOLECULAR FORMULA: C18H25NO4
MOLECULAR WEIGHT: 319.3954
SMILES: CC1CCCC(CCC/C=C\C2=CC(=CC(=C2C(=O)O1)O)O)N
Structure:
CAS RN: 67683-83-4
CAS Name: (6Z)-1,7,12-trimethyl-3-(2-methylpropyl)-6-(phenylmethylene)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
OPENEYE Name: (6Z)-6-benzylidene-3-isobutyl-1,7,12-trimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
IUPAC Name: (6Z)-6-benzylidene-1,7,12-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
SYSTEMATIC NAME: (6Z)-1,7,12-trimethyl-3-(2-methylpropyl)-6-(phenylmethylidene)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
MOLECULAR FORMULA: C22H30N4O4
MOLECULAR WEIGHT: 414.498
SMILES: CC1C(=O)NCC(=O)N(/C(=C\C2=CC=CC=C2)/C(=O)NC(C(=O)N1C)CC(C)C)C
Structure:
CAS RN: 63866-51-3
CAS Name: (1R,2S,4S)-1,2-dichloro-4-[(E)-2-chloroethenyl]-1-methyl-5-methylenecyclohexane
OPENEYE Name: (1R,2S,4S)-1,2-dichloro-4-[(E)-2-chlorovinyl]-1-methyl-5-methylene-cyclohexane
IUPAC Name: (1R,2S,4S)-1,2-dichloro-4-[(E)-2-chloroethenyl]-1-methyl-5-methylidenecyclohexane
SYSTEMATIC NAME: (1R,2S,4S)-1,2-bis(chloranyl)-4-[(E)-2-chloranylethenyl]-1-methyl-5-methylidene-cyclohexane
MOLECULAR FORMULA: C10H13Cl3
MOLECULAR WEIGHT: 239.56922
SMILES: C[C@]1(CC(=C)[C@@H](C[C@@H]1Cl)/C=C/Cl)Cl
Structure:
CAS RN: 62346-21-8
CAS Name: (1S,5Z,8R,9R)-8-hydroxy-6,10,10-trimethyl-2-methylene-7-bicyclo[7.2.0]undec-5-enone
OPENEYE Name: (1S,5Z,8R,9R)-8-hydroxy-6,10,10-trimethyl-2-methylene-bicyclo[7.2.0]undec-5-en-7-one
IUPAC Name: (1S,5Z,8R,9R)-8-hydroxy-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-7-one
SYSTEMATIC NAME: (1S,5Z,8R,9R)-6,10,10-trimethyl-2-methylidene-8-oxidanyl-bicyclo[7.2.0]undec-5-en-7-one
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: C/C/1=C/CCC(=C)[C@H]2CC([C@@H]2[C@H](C1=O)O)(C)C
Structure:
CAS RN: 60683-87-6
CAS Name: (Z)-3-[2-(hydroxymethyl)-3-[[3-(4-hydroxyphenoxy)phenyl]methoxy-oxomethyl]-2-methylcyclopropyl]-2-methyl-2-propenoic acid
OPENEYE Name: (Z)-3-[2-(hydroxymethyl)-3-[[3-(4-hydroxyphenoxy)phenyl]methoxycarbonyl]-2-methyl-cyclopropyl]-2-methyl-prop-2-enoic acid
IUPAC Name: (Z)-3-[2-(hydroxymethyl)-3-[[3-(4-hydroxyphenoxy)phenyl]methoxycarbonyl]-2-methylcyclopropyl]-2-methylprop-2-enoic acid
SYSTEMATIC NAME: (Z)-3-[2-(hydroxymethyl)-2-methyl-3-[[3-(4-oxidanylphenoxy)phenyl]methoxycarbonyl]cyclopropyl]-2-methyl-prop-2-enoic acid
MOLECULAR FORMULA: C23H24O7
MOLECULAR WEIGHT: 412.43246
SMILES: C/C(=C/C1C(C1(C)CO)C(=O)OCC2=CC(=CC=C2)OC3=CC=C(C=C3)O)/C(=O)O
Structure:
CAS RN: 60683-86-5
CAS Name: (E)-3-[(1S,3R)-2,2-dimethyl-3-[oxo-[(3-phenoxyphenyl)methoxy]methyl]cyclopropyl]-2-methyl-2-propenoic acid
OPENEYE Name: (E)-3-[(1S,3R)-2,2-dimethyl-3-[(3-phenoxyphenyl)methoxycarbonyl]cyclopropyl]-2-methyl-prop-2-enoic acid
IUPAC Name: (E)-3-[(1S,3R)-2,2-dimethyl-3-[(3-phenoxyphenyl)methoxycarbonyl]cyclopropyl]-2-methylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[(1S,3R)-2,2-dimethyl-3-[(3-phenoxyphenyl)methoxycarbonyl]cyclopropyl]-2-methyl-prop-2-enoic acid
MOLECULAR FORMULA: C23H24O5
MOLECULAR WEIGHT: 380.43366
SMILES: C/C(=C\[C@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C(=O)O
Structure:
CAS RN: 58877-59-1
CAS Name: (E)-1-dodecen-1-ol
OPENEYE Name: (E)-dodec-1-en-1-ol
IUPAC Name: (E)-dodec-1-en-1-ol
SYSTEMATIC NAME: (E)-dodec-1-en-1-ol
MOLECULAR FORMULA: C12H24O
MOLECULAR WEIGHT: 184.31836
SMILES: CCCCCCCCCC/C=C/O
Structure:
CAS RN: 57154-96-8
CAS Name: (2Z)-7,9,15,17-tetrahydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-13-one
OPENEYE Name: (2Z)-7,9,15,17-tetrahydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-13-one
IUPAC Name: (2Z)-7,9,15,17-tetrahydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-13-one
SYSTEMATIC NAME: (2Z)-11-methyl-7,9,15,17-tetrakis(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraen-13-one
MOLECULAR FORMULA: C18H24O6
MOLECULAR WEIGHT: 336.37956
SMILES: CC1CC(CC(CCC/C=C\C2=CC(=CC(=C2C(=O)O1)O)O)O)O
Structure:
CAS RN: 55806-39-8
CAS Name: (2E,6E,9Z)-3,7-dimethyl-8,11-dioxododeca-2,6,9-trienal
OPENEYE Name: (2E,6E,9Z)-3,7-dimethyl-8,11-dioxo-dodeca-2,6,9-trienal
IUPAC Name: (2E,6E,9Z)-3,7-dimethyl-8,11-dioxododeca-2,6,9-trienal
SYSTEMATIC NAME: (2E,6E,9Z)-3,7-dimethyl-8,11-bis(oxidanylidene)dodeca-2,6,9-trienal
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: C/C(=C\C=O)/CC/C=C(\C)/C(=O)/C=C\C(=O)C
Structure:
CAS RN: 54984-67-7
CAS Name: (1S)-3-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid
OPENEYE Name: (1S)-3-[(Z)-3-hydroxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid
IUPAC Name: (1S)-3-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1S)-2,2-dimethyl-3-[(Z)-2-methyl-3-oxidanyl-prop-1-enyl]cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C10H16O3
MOLECULAR WEIGHT: 184.23224
SMILES: C/C(=C/C1[C@@H](C1(C)C)C(=O)O)/CO
Structure:
CAS RN: 54984-68-8
CAS Name: (1S)-3-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid
OPENEYE Name: (1S)-3-[(Z)-3-hydroxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid
IUPAC Name: (1S)-3-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1S)-2,2-dimethyl-3-[(Z)-2-methyl-3-oxidanyl-prop-1-enyl]cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C10H16O3
MOLECULAR WEIGHT: 184.23224
SMILES: C/C(=C/C1[C@@H](C1(C)C)C(=O)O)/CO
Structure:
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