7-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-7-phenyl-heptanoic acid

Systemtic Name: 7-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-7-phenyl-heptanoic acid Openeye Name: 7-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-7-phenyl-heptanoic acid CAS Name: 7-(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-7-phenylheptanoic acid IUPAC Name: 7-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-phenylheptanoic acid Traditional Name: 7-(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)-7-phenyl-enanthic acid Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCCCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCCCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C22H26O6/c1-14-18(20(26)22(28-3)21(27-2)19(14)25)16(15-10-6-4-7-11-15)12-8-5-9-13-17(23)24/h4,6-7,10-11,16H,5,8-9,12-13H2,1-3H3,(H,23,24)