[4-(2-oxidanylidenebutylsulfonyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-oxidanylidenebutylsulfonyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-oxobutylsulfonyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-oxobutylsulfonyl)phenyl] ester IUPAC Name: [4-(2-oxobutylsulfonyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-ketobutylsulfonyl)phenyl] ester Formula: C17H18O6S2 MolecularWeight: 382.45122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CS(=O)(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(=O)CS(=O)(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H18O6S2/c1-3-14(18)12-24(19,20)16-10-6-15(7-11-16)23-25(21,22)17-8-4-13(2)5-9-17/h4-11H,3,12H2,1-2H3