6-chloranylhexyl 4-methylbenzenesulfonate

Systemtic Name: 6-chloranylhexyl 4-methylbenzenesulfonate Openeye Name: 6-chlorohexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-chlorohexyl ester IUPAC Name: 6-chlorohexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-chlorohexyl ester Formula: C13H19ClO3S MolecularWeight: 290.80616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCl

InChI

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