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

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C19H22O4S MolecularWeight: 346.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C)C

InChI

InChI=1S/C19H22O4S/c1-13-11-14(2)19(15(3)12-13)24(21,22)23-18-9-7-17(8-10-18)6-5-16(4)20/h7-12H,5-6H2,1-4H3