methyl 12-chloranyl-9-heptanoyl-octadeca-9,10-dienoate

Systemtic Name: methyl 12-chloranyl-9-heptanoyl-octadeca-9,10-dienoate Openeye Name: methyl 12-chloro-9-heptanoyl-octadeca-9,10-dienoate CAS Name: 12-chloro-9-(1-oxoheptyl)octadeca-9,10-dienoic acid methyl ester IUPAC Name: methyl 12-chloro-9-heptanoyloctadeca-9,10-dienoate Traditional Name: 12-chloro-9-enanthyl-octadeca-9,10-dienoic acid methyl ester Formula: C26H45ClO3 MolecularWeight: 441.0867

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=C=C(CCCCCCCC(=O)OC)C(=O)CCCCCC)Cl

Isomeric SMILES

CCCCCCC(C=C=C(CCCCCCCC(=O)OC)C(=O)CCCCCC)Cl

InChI

InChI=1S/C26H45ClO3/c1-4-6-8-14-18-24(27)22-21-23(25(28)19-15-9-7-5-2)17-13-11-10-12-16-20-26(29)30-3/h22,24H,4-20H2,1-3H3