(6-chloranyl-4-methyl-octyl) 4-methylbenzenesulfonate

Systemtic Name: (6-chloranyl-4-methyl-octyl) 4-methylbenzenesulfonate Openeye Name: (6-chloro-4-methyl-octyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-chloro-4-methyloctyl) ester IUPAC Name: (6-chloro-4-methyloctyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-chloro-4-methyl-octyl) ester Formula: C16H25ClO3S MolecularWeight: 332.8859

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)CCCOS(=O)(=O)C1=CC=C(C=C1)C)Cl

Isomeric SMILES

CCC(CC(C)CCCOS(=O)(=O)C1=CC=C(C=C1)C)Cl

InChI

InChI=1S/C16H25ClO3S/c1-4-15(17)12-14(3)6-5-11-20-21(18,19)16-9-7-13(2)8-10-16/h7-10,14-15H,4-6,11-12H2,1-3H3