5-chloranylpentyl 4-methylbenzenesulfonate

Systemtic Name: 5-chloranylpentyl 4-methylbenzenesulfonate Openeye Name: 5-chloropentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-chloropentyl ester IUPAC Name: 5-chloropentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-chloropentyl ester Formula: C12H17ClO3S MolecularWeight: 276.77958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClO3S/c1-11-5-7-12(8-6-11)17(14,15)16-10-4-2-3-9-13/h5-8H,2-4,9-10H2,1H3