(9E,30E)-20-hexadecanoyl-19-oxidanyl-18,22-bis(oxidanylidene)nonatriaconta-9,30-dien-20-olate

Systemtic Name: (9E,30E)-20-hexadecanoyl-19-oxidanyl-18,22-bis(oxidanylidene)nonatriaconta-9,30-dien-20-olate Openeye Name: (9E,30E)-20-hexadecanoyl-19-hydroxy-18,22-dioxo-nonatriaconta-9,30-dien-20-olate CAS Name: (9E,30E)-19-hydroxy-18,22-dioxo-20-(1-oxohexadecyl)-20-nonatriaconta-9,30-dienolate IUPAC Name: (9E,30E)-20-hexadecanoyl-19-hydroxy-18,22-dioxononatriaconta-9,30-dien-20-olate Traditional Name: (9E,30E)-20-hexadecanoyl-19-hydroxy-18,22-diketo-nonatriaconta-9,30-dien-20-olate Formula: C55H101O5- MolecularWeight: 842.38744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H101O5/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-51(56)50-55(60,53(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)54(59)52(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,54,59H,4-24,29-50H2,1-3H3/q-1/b27-25+,28-26+