(6-chloranyl-3-methyl-hexyl) 4-methylbenzenesulfonate

Systemtic Name: (6-chloranyl-3-methyl-hexyl) 4-methylbenzenesulfonate Openeye Name: (6-chloro-3-methyl-hexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-chloro-3-methylhexyl) ester IUPAC Name: (6-chloro-3-methylhexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-chloro-3-methyl-hexyl) ester Formula: C14H21ClO3S MolecularWeight: 304.83274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)CCCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)CCCCl

InChI

InChI=1S/C14H21ClO3S/c1-12(4-3-10-15)9-11-18-19(16,17)14-7-5-13(2)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3