methyl (3E,12E)-17-oxidanylidenecycloheptadeca-3,12-diene-1-carboxylate

Systemtic Name: methyl (3E,12E)-17-oxidanylidenecycloheptadeca-3,12-diene-1-carboxylate Openeye Name: methyl (3E,12E)-17-oxocycloheptadeca-3,12-diene-1-carboxylate CAS Name: (3E,12E)-17-oxo-1-cycloheptadeca-3,12-dienecarboxylic acid methyl ester IUPAC Name: methyl (3E,12E)-17-oxocycloheptadeca-3,12-diene-1-carboxylate Traditional Name: (3E,12E)-17-ketocycloheptadeca-3,12-diene-1-carboxylic acid methyl ester Formula: C19H30O3 MolecularWeight: 306.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCCCCCCCC=CCCCC1=O

Isomeric SMILES

COC(=O)C1C/C=C/CCCCCCC/C=C/CCCC1=O

InChI

InChI=1S/C19H30O3/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(17)20/h8,10-11,13,17H,2-7,9,12,14-16H2,1H3/b10-8+,13-11+