[4-(3-oxidanylidenebutyl)phenyl] 2,3,5,6-tetramethylbenzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2,3,5,6-tetramethylbenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 2,3,5,6-tetramethylbenzenesulfonate CAS Name: 2,3,5,6-tetramethylbenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2,3,5,6-tetramethylbenzenesulfonate Traditional Name: 2,3,5,6-tetramethylbenzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C)C)C

InChI

InChI=1S/C20H24O4S/c1-13-12-14(2)17(5)20(16(13)4)25(22,23)24-19-10-8-18(9-11-19)7-6-15(3)21/h8-12H,6-7H2,1-5H3