4-chloranylbutyl 4-methylbenzenesulfonate

Systemtic Name: 4-chloranylbutyl 4-methylbenzenesulfonate Openeye Name: 4-chlorobutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-chlorobutyl ester Formula: C11H15ClO3S MolecularWeight: 262.753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15ClO3S/c1-10-4-6-11(7-5-10)16(13,14)15-9-3-2-8-12/h4-7H,2-3,8-9H2,1H3