calcium (9Z,11E)-octadeca-9,11-dienoate

Systemtic Name: calcium (9Z,11E)-octadeca-9,11-dienoate Openeye Name: calcium (9Z,11E)-octadeca-9,11-dienoate CAS Name: calcium (9Z,11E)-octadeca-9,11-dienoate IUPAC Name: calcium (9Z,11E)-octadeca-9,11-dienoate Traditional Name: calcium (9Z,11E)-octadeca-9,11-dienoate Formula: C36H62CaO4 MolecularWeight: 598.95308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC=CCCCCCCCC(=O)[O-].CCCCCCC=CC=CCCCCCCCC(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCC/C=C/C=C\CCCCCCCC(=O)[O-].CCCCCC/C=C/C=C\CCCCCCCC(=O)[O-].[Ca+2]

InChI

InChI=1S/2C18H32O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*7-10H,2-6,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*8-7+,10-9-;