2,3-bis(oxidanyl)-4-[(7-oxidanyl-6-oxidanylidene-2H-isoquinolin-1-yl)methyl]benzenesulfonic acid

Systemtic Name: 2,3-bis(oxidanyl)-4-[(7-oxidanyl-6-oxidanylidene-2H-isoquinolin-1-yl)methyl]benzenesulfonic acid Openeye Name: 2,3-dihydroxy-4-[(7-hydroxy-6-oxo-2H-isoquinolin-1-yl)methyl]benzenesulfonic acid CAS Name: 2,3-dihydroxy-4-[(7-hydroxy-6-oxo-2H-isoquinolin-1-yl)methyl]benzenesulfonic acid IUPAC Name: 2,3-dihydroxy-4-[(7-hydroxy-6-oxo-2H-isoquinolin-1-yl)methyl]benzenesulfonic acid Traditional Name: 2,3-dihydroxy-4-[(7-hydroxy-6-keto-2H-isoquinolin-1-yl)methyl]besylic acid Formula: C16H13NO7S MolecularWeight: 363.34192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CC2=C3C=C(C(=O)C=C3C=CN2)O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1CC2=C3C=C(C(=O)C=C3C=CN2)O)O)O)S(=O)(=O)O

InChI

InChI=1S/C16H13NO7S/c18-12-6-8-3-4-17-11(10(8)7-13(12)19)5-9-1-2-14(25(22,23)24)16(21)15(9)20/h1-4,6-7,17,19-21H,5H2,(H,22,23,24)