22-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]docosanoic acid

Systemtic Name: 22-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]docosanoic acid Openeye Name: 22-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)docosanoic acid CAS Name: 22-(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)docosanoic acid IUPAC Name: 22-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)docosanoic acid Traditional Name: 22-(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)behenic acid Formula: C31H52O6 MolecularWeight: 520.74098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C31H52O6/c1-25-26(29(35)31(37-3)30(36-2)28(25)34)23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-27(32)33/h4-24H2,1-3H3,(H,32,33)