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

Systemtic Name: 3-[[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-3-[(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]benzoic acid CAS Name: 3-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]-2-phenylmethoxybenzoic acid IUPAC Name: 3-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-3-[(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)methyl]benzoic acid Formula: C24H22O7 MolecularWeight: 422.42728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC=CC(=C2OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC=CC(=C2OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H22O7/c1-14-18(20(26)23(30-3)22(29-2)19(14)25)12-16-10-7-11-17(24(27)28)21(16)31-13-15-8-5-4-6-9-15/h4-11H,12-13H2,1-3H3,(H,27,28)