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

Systemtic Name: 2-[[4,5-dimethoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]-6-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-6-[(4,5-dimethoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]benzoic acid CAS Name: 2-[(4,5-dimethoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]-6-phenylmethoxybenzoic acid IUPAC Name: 2-[(4,5-dimethoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-6-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-6-[(3,6-diketo-4,5-dimethoxy-cyclohexa-1,4-dien-1-yl)methyl]benzoic acid Formula: C23H20O7 MolecularWeight: 408.4007

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=CC1=O)CC2=C(C(=CC=C2)OCC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=O)C(=CC1=O)CC2=C(C(=CC=C2)OCC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C23H20O7/c1-28-21-17(24)12-16(20(25)22(21)29-2)11-15-9-6-10-18(19(15)23(26)27)30-13-14-7-4-3-5-8-14/h3-10,12H,11,13H2,1-2H3,(H,26,27)