calcium (Z)-octadec-9-enoate

Systemtic Name: calcium (Z)-octadec-9-enoate Openeye Name: calcium (Z)-octadec-9-enoate CAS Name: calcium (Z)-9-octadecenoate IUPAC Name: calcium (Z)-octadec-9-enoate Traditional Name: calcium (Z)-octadec-9-enoate Formula: C36H66CaO4 MolecularWeight: 602.98484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H34O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;