[1,1,1-tris(chloranyl)-4-phenyl-butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1,1,1-tris(chloranyl)-4-phenyl-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [3-phenyl-1-(trichloromethyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,1,1-trichloro-4-phenylbutan-2-yl) ester IUPAC Name: (1,1,1-trichloro-4-phenylbutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-phenyl-1-(trichloromethyl)propyl] ester Formula: C17H17Cl3O3S MolecularWeight: 407.73908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCC2=CC=CC=C2)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCC2=CC=CC=C2)C(Cl)(Cl)Cl

InChI

InChI=1S/C17H17Cl3O3S/c1-13-7-10-15(11-8-13)24(21,22)23-16(17(18,19)20)12-9-14-5-3-2-4-6-14/h2-8,10-11,16H,9,12H2,1H3