methyl 3,4,5-tris(oxidanyl)-6-oxidanylidene-benzo[7]annulene-8-carboxylate

Systemtic Name: methyl 3,4,5-tris(oxidanyl)-6-oxidanylidene-benzo[7]annulene-8-carboxylate Openeye Name: methyl 3,4,5-trihydroxy-6-oxo-benzo[7]annulene-8-carboxylate CAS Name: 3,4,5-trihydroxy-6-oxo-8-benzo[7]annulenecarboxylic acid methyl ester IUPAC Name: methyl 3,4,5-trihydroxy-6-oxobenzo[7]annulene-8-carboxylate Traditional Name: 3,4,5-trihydroxy-6-keto-benzocycloheptene-8-carboxylic acid methyl ester Formula: C13H10O6 MolecularWeight: 262.2149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)C(=C2C(=C1)C=CC(=C2O)O)O

Isomeric SMILES

COC(=O)C1=CC(=O)C(=C2C(=C1)C=CC(=C2O)O)O

InChI

InChI=1S/C13H10O6/c1-19-13(18)7-4-6-2-3-8(14)11(16)10(6)12(17)9(15)5-7/h2-5,14,16H,1H3,(H,15,17)