[5-[4-(4-chlorophenyl)phenoxy]-2,2-dimethyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [5-[4-(4-chlorophenyl)phenoxy]-2,2-dimethyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [5-[4-(4-chlorophenyl)phenoxy]-2,2-dimethyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[4-(4-chlorophenyl)phenoxy]-2,2-dimethylpentyl] ester IUPAC Name: [5-[4-(4-chlorophenyl)phenoxy]-2,2-dimethylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[4-(4-chlorophenyl)phenoxy]-2,2-dimethyl-pentyl] ester Formula: C26H29ClO4S MolecularWeight: 473.02406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H29ClO4S/c1-20-5-15-25(16-6-20)32(28,29)31-19-26(2,3)17-4-18-30-24-13-9-22(10-14-24)21-7-11-23(27)12-8-21/h5-16H,4,17-19H2,1-3H3