[4-(3-oxidanylidenebutyl)phenyl] 4-tert-butylbenzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C20H24O4S MolecularWeight: 360.46716

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24O4S/c1-15(21)5-6-16-7-11-18(12-8-16)24-25(22,23)19-13-9-17(10-14-19)20(2,3)4/h7-14H,5-6H2,1-4H3