barium(2+); (9Z,12Z)-octadeca-9,12-dienoate

Systemtic Name: barium(2+); (9Z,12Z)-octadeca-9,12-dienoate Openeye Name: barium(2+); (9Z,12Z)-octadeca-9,12-dienoate CAS Name: barium(2+); (9Z,12Z)-octadeca-9,12-dienoate IUPAC Name: barium(2+); (9Z,12Z)-octadeca-9,12-dienoate Traditional Name: barium(2+); (9Z,12Z)-octadeca-9,12-dienoate Formula: C18H31BaO2+ MolecularWeight: 416.76454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)[O-].[Ba+2]

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Ba+2]

InChI

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