calcium (Z)-hexadec-9-enoate

Systemtic Name: calcium (Z)-hexadec-9-enoate Openeye Name: calcium (Z)-hexadec-9-enoate CAS Name: calcium (Z)-9-hexadecenoate IUPAC Name: calcium (Z)-hexadec-9-enoate Traditional Name: calcium (Z)-hexadec-9-enoate Formula: C32H58CaO4 MolecularWeight: 546.87852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H30O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*7-8H,2-6,9-15H2,1H3,(H,17,18);/q;;+2/p-2/b2*8-7-;