calcium (E)-4-[(E)-octadec-9-enoxy]-4-oxidanylidene-but-2-enoate

Systemtic Name: calcium (E)-4-[(E)-octadec-9-enoxy]-4-oxidanylidene-but-2-enoate Openeye Name: calcium (E)-4-[(E)-octadec-9-enoxy]-4-oxo-but-2-enoate CAS Name: calcium (E)-4-[(E)-octadec-9-enoxy]-4-oxo-2-butenoate IUPAC Name: calcium (E)-4-[(E)-octadec-9-enoxy]-4-oxobut-2-enoate Traditional Name: calcium (E)-4-keto-4-[(E)-octadec-9-enoxy]but-2-enoate Formula: C44H74CaO8 MolecularWeight: 771.13156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H38O4.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;/h2*9-10,18-19H,2-8,11-17,20H2,1H3,(H,23,24);/q;;+2/p-2/b2*10-9+,19-18+;