hexadecanoic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; (Z)-octadec-9-enoic acid

Systemtic Name: hexadecanoic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; (Z)-octadec-9-enoic acid Openeye Name: (9Z,12Z)-octadeca-9,12-dienoic acid; (Z)-octadec-9-enoic acid; palmitic acid CAS Name: hexadecanoic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; (Z)-9-octadecenoic acid IUPAC Name: hexadecanoic acid; (9Z,12Z)-octadeca-9,12-dienoic acid; (Z)-octadec-9-enoic acid Traditional Name: (9Z,12Z)-octadeca-9,12-dienoic acid; oleic acid; palmitic acid Formula: C52H98O6 MolecularWeight: 819.33092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O

InChI

InChI=1S/C18H34O2.C18H32O2.C16H32O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-17H2,1H3,(H,19,20);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18)/b10-9-;7-6-,10-9-;