(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-methylbenzenesulfonate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C17H19ClO3S MolecularWeight: 338.84896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C(=C2)C)Cl)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C(=C2)C)Cl)C(C)C

InChI

InChI=1S/C17H19ClO3S/c1-11(2)15-10-16(18)13(4)9-17(15)21-22(19,20)14-7-5-12(3)6-8-14/h5-11H,1-4H3