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

Systemtic Name: 3,4-bis(oxidanyl)-2-[(7-oxidanyl-6-oxidanylidene-2H-isoquinolin-1-yl)methyl]benzenesulfonic acid Openeye Name: 3,4-dihydroxy-2-[(7-hydroxy-6-oxo-2H-isoquinolin-1-yl)methyl]benzenesulfonic acid CAS Name: 3,4-dihydroxy-2-[(7-hydroxy-6-oxo-2H-isoquinolin-1-yl)methyl]benzenesulfonic acid IUPAC Name: 3,4-dihydroxy-2-[(7-hydroxy-6-oxo-2H-isoquinolin-1-yl)methyl]benzenesulfonic acid Traditional Name: 3,4-dihydroxy-2-[(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(=C1O)O)CC2=C3C=C(C(=O)C=C3C=CN2)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1O)O)CC2=C3C=C(C(=O)C=C3C=CN2)O)S(=O)(=O)O

InChI

InChI=1S/C16H13NO7S/c18-12-1-2-15(25(22,23)24)10(16(12)21)6-11-9-7-14(20)13(19)5-8(9)3-4-17-11/h1-5,7,17-18,20-21H,6H2,(H,22,23,24)