calcium (E)-4-hexadecoxy-4-oxidanylidene-but-2-enoate

Systemtic Name: calcium (E)-4-hexadecoxy-4-oxidanylidene-but-2-enoate Openeye Name: calcium (E)-4-hexadecoxy-4-oxo-but-2-enoate CAS Name: calcium (E)-4-hexadecoxy-4-oxo-2-butenoate IUPAC Name: calcium (E)-4-hexadecoxy-4-oxobut-2-enoate Traditional Name: calcium (E)-4-cetyloxy-4-keto-but-2-enoate Formula: C20H35CaO4+ MolecularWeight: 379.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)[O-].[Ca+2]

Isomeric SMILES

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

InChI

InChI=1S/C20H36O4.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;/h16-17H,2-15,18H2,1H3,(H,21,22);/q;+2/p-1/b17-16+;