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

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C16H15ClO4S MolecularWeight: 338.8059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClO4S/c1-12(18)2-3-13-4-8-15(9-5-13)21-22(19,20)16-10-6-14(17)7-11-16/h4-11H,2-3H2,1H3