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

Systemtic Name: 3-[[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]benzoic acid Openeye Name: 3-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]benzoic acid CAS Name: 3-[(3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]benzoic acid IUPAC Name: 3-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]benzoic acid Traditional Name: 3-[(3,6-diketocyclohexa-1,4-dien-1-yl)methyl]benzoic acid Formula: C14H10O4 MolecularWeight: 242.2268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC2=CC(=O)C=CC2=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC2=CC(=O)C=CC2=O)C(=O)O

InChI

InChI=1S/C14H10O4/c15-12-4-5-13(16)11(8-12)7-9-2-1-3-10(6-9)14(17)18/h1-6,8H,7H2,(H,17,18)