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: C40H70CaO8 MolecularWeight: 719.057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H36O4.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;/h2*16-17H,2-15,18H2,1H3,(H,21,22);/q;;+2/p-2/b2*17-16+;