2-[(9E,28E)-18,20-bis(oxidanylidene)-19-pentadecyl-heptatriaconta-9,28-dien-19-yl]propanedioate

Systemtic Name: 2-[(9E,28E)-18,20-bis(oxidanylidene)-19-pentadecyl-heptatriaconta-9,28-dien-19-yl]propanedioate Openeye Name: 2-[(E)-1-[(E)-octadec-9-enoyl]-2-oxo-1-pentadecyl-nonadec-10-enyl]propanedioate CAS Name: 2-[(9E,28E)-18,20-dioxo-19-pentadecylheptatriaconta-9,28-dien-19-yl]propanedioate IUPAC Name: 2-[(9E,28E)-18,20-dioxo-19-pentadecylheptatriaconta-9,28-dien-19-yl]propanedioate Traditional Name: 2-[(E)-2-keto-1-[(E)-octadec-9-enoyl]-1-pentadecyl-nonadec-10-enyl]malonate Formula: C55H98O6-2 MolecularWeight: 855.36302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C(=O)[O-])C(=O)[O-])(C(=O)CCCCCCCC=CCCCCCCCC)C(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(=O)CCCCCCC/C=C/CCCCCCCC)(C(=O)CCCCCCC/C=C/CCCCCCCC)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50(56)55(52(53(58)59)54(60)61,49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)51(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-49H2,1-3H3,(H,58,59)(H,60,61)/p-2/b27-25+,28-26+