2-oxidanylidenehexyl 4-methylbenzenesulfonate

Systemtic Name: 2-oxidanylidenehexyl 4-methylbenzenesulfonate Openeye Name: 2-oxohexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-oxohexyl ester IUPAC Name: 2-oxohexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-ketohexyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCC(=O)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H18O4S/c1-3-4-5-12(14)10-17-18(15,16)13-8-6-11(2)7-9-13/h6-9H,3-5,10H2,1-2H3