12-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]dodeca-2,7-diynoic acid

Systemtic Name: 12-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]dodeca-2,7-diynoic acid Openeye Name: 12-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid CAS Name: 12-(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)dodeca-2,7-diynoic acid IUPAC Name: 12-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid Traditional Name: 12-(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCC#CCCCC#CC(=O)O

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCC#CCCCC#CC(=O)O

InChI

InChI=1S/C21H24O6/c1-15-16(19(25)21(27-3)20(26-2)18(15)24)13-11-9-7-5-4-6-8-10-12-14-17(22)23/h6-11,13H2,1-3H3,(H,22,23)