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

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

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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)NC(=O)C

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H19NO5S/c1-13(20)3-4-15-5-9-17(10-6-15)24-25(22,23)18-11-7-16(8-12-18)19-14(2)21/h5-12H,3-4H2,1-2H3,(H,19,21)