(6-chloranyl-6-oxidanylidene-hexyl) 4-methylbenzenesulfonate

Systemtic Name: (6-chloranyl-6-oxidanylidene-hexyl) 4-methylbenzenesulfonate Openeye Name: (6-chloro-6-oxo-hexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-chloro-6-oxohexyl) ester IUPAC Name: (6-chloro-6-oxohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-chloro-6-keto-hexyl) ester Formula: C13H17ClO4S MolecularWeight: 304.78968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC(=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC(=O)Cl

InChI

InChI=1S/C13H17ClO4S/c1-11-6-8-12(9-7-11)19(16,17)18-10-4-2-3-5-13(14)15/h6-9H,2-5,10H2,1H3