18-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]octadecanoic acid

Systemtic Name: 18-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]octadecanoic acid Openeye Name: 18-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)octadecanoic acid CAS Name: 18-(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)octadecanoic acid IUPAC Name: 18-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)octadecanoic acid Traditional Name: 18-(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)stearic acid Formula: C27H44O6 MolecularWeight: 464.63466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44O6/c1-21-22(25(31)27(33-3)26(32-2)24(21)30)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-23(28)29/h4-20H2,1-3H3,(H,28,29)