(5-methyl-2-oxidanylidene-hexyl) 4-chloranylbenzenesulfonate

Systemtic Name: (5-methyl-2-oxidanylidene-hexyl) 4-chloranylbenzenesulfonate Openeye Name: (5-methyl-2-oxo-hexyl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (5-methyl-2-oxohexyl) ester IUPAC Name: (5-methyl-2-oxohexyl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (2-keto-5-methyl-hexyl) ester Formula: C13H17ClO4S MolecularWeight: 304.78968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO4S/c1-10(2)3-6-12(15)9-18-19(16,17)13-7-4-11(14)5-8-13/h4-5,7-8,10H,3,6,9H2,1-2H3