calcium 12-oxidanyloctadec-9-enoate

Systemtic Name: calcium 12-oxidanyloctadec-9-enoate Openeye Name: calcium 12-hydroxyoctadec-9-enoate CAS Name: calcium 12-hydroxy-9-octadecenoate IUPAC Name: calcium 12-hydroxyoctadec-9-enoate Traditional Name: calcium 12-hydroxyoctadec-9-enoate Formula: C36H66CaO6 MolecularWeight: 634.98364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H34O3.Ca/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2