[4-(3-oxidanylidenebutyl)phenyl] 4-sulfamoylbenzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 4-sulfamoylbenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 4-sulfamoylbenzenesulfonate CAS Name: 4-sulfamoylbenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 4-sulfamoylbenzenesulfonate Traditional Name: 4-sulfamoylbenzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C16H17NO6S2 MolecularWeight: 383.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H17NO6S2/c1-12(18)2-3-13-4-6-14(7-5-13)23-25(21,22)16-10-8-15(9-11-16)24(17,19)20/h4-11H,2-3H2,1H3,(H2,17,19,20)