3-oxidanylideneoctan-4-yl 4-methylbenzenesulfonate

Systemtic Name: 3-oxidanylideneoctan-4-yl 4-methylbenzenesulfonate Openeye Name: 1-propanoylpentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-oxooctan-4-yl ester IUPAC Name: 3-oxooctan-4-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-propionylpentyl ester Formula: C15H22O4S MolecularWeight: 298.39778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O4S/c1-4-6-7-15(14(16)5-2)19-20(17,18)13-10-8-12(3)9-11-13/h8-11,15H,4-7H2,1-3H3