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

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C18H20O4S MolecularWeight: 332.414

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4S/c1-13-4-5-14(2)18(12-13)23(20,21)22-17-10-8-16(9-11-17)7-6-15(3)19/h4-5,8-12H,6-7H2,1-3H3