2-[(6-phenyl-5-sulfamoyl-cyclohexa-1,5-dien-1-yl)methyl]propanedioic acid

Systemtic Name: 2-[(6-phenyl-5-sulfamoyl-cyclohexa-1,5-dien-1-yl)methyl]propanedioic acid Openeye Name: 2-[(6-phenyl-5-sulfamoyl-cyclohexa-1,5-dien-1-yl)methyl]propanedioic acid CAS Name: 2-[(6-phenyl-5-sulfamoyl-1-cyclohexa-1,5-dienyl)methyl]propanedioic acid IUPAC Name: 2-[(6-phenyl-5-sulfamoylcyclohexa-1,5-dien-1-yl)methyl]propanedioic acid Traditional Name: 2-[(6-phenyl-5-sulfamoyl-cyclohexa-1,5-dien-1-yl)methyl]malonic acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C1)CC(C(=O)O)C(=O)O)C2=CC=CC=C2)S(=O)(=O)N

Isomeric SMILES

C1CC(=C(C(=C1)CC(C(=O)O)C(=O)O)C2=CC=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C16H17NO6S/c17-24(22,23)13-8-4-7-11(9-12(15(18)19)16(20)21)14(13)10-5-2-1-3-6-10/h1-3,5-7,12H,4,8-9H2,(H,18,19)(H,20,21)(H2,17,22,23)