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

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 4-ethanoylbenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 4-acetylbenzenesulfonate CAS Name: 4-acetylbenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 4-acetylbenzenesulfonate Traditional Name: 4-acetylbenzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C18H18O5S MolecularWeight: 346.39752

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5S/c1-13(19)3-4-15-5-9-17(10-6-15)23-24(21,22)18-11-7-16(8-12-18)14(2)20/h5-12H,3-4H2,1-2H3