methyl (9E,12E)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoic acid

Systemtic Name: methyl (9E,12E)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoic acid Openeye Name: methyl (9E,12E)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoic acid CAS Name: (9E,12E)-octadeca-9,12-dienoic acid; (9E,12E)-octadeca-9,12-dienoic acid methyl ester IUPAC Name: methyl (9E,12E)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoic acid Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid; (9E,12E)-octadeca-9,12-dienoic acid methyl ester Formula: C37H66O4 MolecularWeight: 574.91754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)O.CCCCCC=CCC=CCCCCCCCC(=O)OC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)O.CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC

InChI

InChI=1S/C19H34O2.C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,10-11H,3-6,9,12-18H2,1-2H3;6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b8-7+,11-10+;7-6+,10-9+