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

Systemtic Name: 4-[[4,5-dimethoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-4-[(4,5-dimethoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]benzoic acid CAS Name: 4-[(4,5-dimethoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]-2-phenylmethoxybenzoic acid IUPAC Name: 4-[(4,5-dimethoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-4-[(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=CC(=C(C=C2)C(=O)O)OCC3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

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