1-[[3,4-bis(oxidanyl)phenyl]methyl]-7-oxidanyl-6-oxidanylidene-2H-isoquinoline-3-carboxylic acid

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-7-oxidanyl-6-oxidanylidene-2H-isoquinoline-3-carboxylic acid Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-6-oxo-2H-isoquinoline-3-carboxylic acid CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-6-oxo-2H-isoquinoline-3-carboxylic acid IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-6-oxo-2H-isoquinoline-3-carboxylic acid Traditional Name: 7-hydroxy-6-keto-1-protocatechuyl-2H-isoquinoline-3-carboxylic acid Formula: C17H13NO6 MolecularWeight: 327.28822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=C3C=C(C(=O)C=C3C=C(N2)C(=O)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC2=C3C=C(C(=O)C=C3C=C(N2)C(=O)O)O)O)O

InChI

InChI=1S/C17H13NO6/c19-13-2-1-8(4-14(13)20)3-11-10-7-16(22)15(21)6-9(10)5-12(18-11)17(23)24/h1-2,4-7,18-20,22H,3H2,(H,23,24)