4-chloranyl-3-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]sulfamoyl]benzoic acid Formula: C16H14ClNO7S MolecularWeight: 399.80286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)O

InChI

InChI=1S/C16H14ClNO7S/c17-12-6-3-10(15(20)21)8-14(12)26(24,25)18-13(16(22)23)7-9-1-4-11(19)5-2-9/h1-6,8,13,18-19H,7H2,(H,20,21)(H,22,23)