4-[[3-(carboxymethylsulfanyl)-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[3-(carboxymethylsulfanyl)-4-oxidanyl-naphthalen-1-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[3-(carboxymethylsulfanyl)-4-hydroxy-1-naphthyl]sulfamoyl]benzoic acid CAS Name: 4-[[3-(carboxymethylthio)-4-hydroxy-1-naphthalenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[3-(carboxymethylsulfanyl)-4-hydroxynaphthalen-1-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[3-(carboxymethylthio)-4-hydroxy-1-naphthyl]sulfamoyl]benzoic acid Formula: C19H15NO7S2 MolecularWeight: 433.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)