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

Systemtic Name: calcium (E)-4-oxidanylidene-4-tridecoxy-but-2-enoate Openeye Name: calcium (E)-4-oxo-4-tridecoxy-but-2-enoate CAS Name: calcium (E)-4-oxo-4-tridecoxy-2-butenoate IUPAC Name: calcium (E)-4-oxo-4-tridecoxybut-2-enoate Traditional Name: calcium (E)-4-keto-4-tridecoxy-but-2-enoate Formula: C17H29CaO4+ MolecularWeight: 337.48776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30O4.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-17(20)14-13-16(18)19;/h13-14H,2-12,15H2,1H3,(H,18,19);/q;+2/p-1/b14-13+;