(8E,27E)-18-(9-octyl-18-oxidanidyl-18-oxidanylidene-octadecan-9-yl)pentatriaconta-8,27-diene-1,18,35-tricarboxylate

Systemtic Name: (8E,27E)-18-(9-octyl-18-oxidanidyl-18-oxidanylidene-octadecan-9-yl)pentatriaconta-8,27-diene-1,18,35-tricarboxylate Openeye Name: (8E,27E)-18-(1,1-dioctyl-10-oxido-10-oxo-decyl)pentatriaconta-8,27-diene-1,18,35-tricarboxylate CAS Name: (8E,27E)-18-(9-octyl-18-oxido-18-oxooctadecan-9-yl)pentatriaconta-8,27-diene-1,18,35-tricarboxylate IUPAC Name: (8E,27E)-18-(9-octyl-18-oxido-18-oxooctadecan-9-yl)pentatriaconta-8,27-diene-1,18,35-tricarboxylate Traditional Name: (8E,27E)-18-(10-keto-1,1-dioctyl-10-oxido-decyl)pentatriaconta-8,27-diene-1,18,35-tricarboxylate Formula: C64H114O8-4 MolecularWeight: 1011.58516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C64H118O8/c1-3-5-7-9-38-46-54-63(55-47-39-10-8-6-4-2,56-48-40-34-31-37-45-53-61(69)70)64(62(71)72,57-49-41-32-27-23-19-15-11-13-17-21-25-29-35-43-51-59(65)66)58-50-42-33-28-24-20-16-12-14-18-22-26-30-36-44-52-60(67)68/h11-14H,3-10,15-58H2,1-2H3,(H,65,66)(H,67,68)(H,69,70)(H,71,72)/p-4/b13-11+,14-12+