1-chloranylhexyl 2-methylbenzenesulfonate

Systemtic Name: 1-chloranylhexyl 2-methylbenzenesulfonate Openeye Name: 1-chlorohexyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid 1-chlorohexyl ester IUPAC Name: 1-chlorohexyl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid 1-chlorohexyl ester Formula: C13H19ClO3S MolecularWeight: 290.80616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(OS(=O)(=O)C1=CC=CC=C1C)Cl

Isomeric SMILES

CCCCCC(OS(=O)(=O)C1=CC=CC=C1C)Cl

InChI

InChI=1S/C13H19ClO3S/c1-3-4-5-10-13(14)17-18(15,16)12-9-7-6-8-11(12)2/h6-9,13H,3-5,10H2,1-2H3