(2-oxidanylidene-3-propyl-hexyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-3-propyl-hexyl) 4-methylbenzenesulfonate Openeye Name: (2-oxo-3-propyl-hexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-oxo-3-propylhexyl) ester IUPAC Name: (2-oxo-3-propylhexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-3-propyl-hexyl) ester Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCC(CCC)C(=O)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H24O4S/c1-4-6-14(7-5-2)16(17)12-20-21(18,19)15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3