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

Systemtic Name: calcium (E)-4-oxidanylidene-4-tetradecoxy-but-2-enoate Openeye Name: calcium (E)-4-oxo-4-tetradecoxy-but-2-enoate CAS Name: calcium (E)-4-oxo-4-tetradecoxy-2-butenoate IUPAC Name: calcium (E)-4-oxo-4-tetradecoxybut-2-enoate Traditional Name: calcium (E)-4-keto-4-myristyloxy-but-2-enoate Formula: C36H62CaO8 MolecularWeight: 662.95068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H32O4.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;/h2*14-15H,2-13,16H2,1H3,(H,19,20);/q;;+2/p-2/b2*15-14+;