(E)-hexadec-9-enoic acid; (9E,12E)-octadeca-9,12-dienoic acid

Systemtic Name: (E)-hexadec-9-enoic acid; (9E,12E)-octadeca-9,12-dienoic acid Openeye Name: (E)-hexadec-9-enoic acid; (9E,12E)-octadeca-9,12-dienoic acid CAS Name: (E)-9-hexadecenoic acid; (9E,12E)-octadeca-9,12-dienoic acid IUPAC Name: (E)-hexadec-9-enoic acid; (9E,12E)-octadeca-9,12-dienoic acid Traditional Name: (E)-hexadec-9-enoic acid; (9E,12E)-octadeca-9,12-dienoic acid Formula: C34H62O4 MolecularWeight: 534.85368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32O2.C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);7-8H,2-6,9-15H2,1H3,(H,17,18)/b7-6+,10-9+;8-7+