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

Systemtic Name: [5-[4-(4-chlorophenyl)phenoxy]-2-methyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [5-[4-(4-chlorophenyl)phenoxy]-2-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl] ester IUPAC Name: [5-[4-(4-chlorophenyl)phenoxy]-2-methylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[4-(4-chlorophenyl)phenoxy]-2-methyl-pentyl] ester Formula: C25H27ClO4S MolecularWeight: 458.99748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClO4S/c1-19-5-15-25(16-6-19)31(27,28)30-18-20(2)4-3-17-29-24-13-9-22(10-14-24)21-7-11-23(26)12-8-21/h5-16,20H,3-4,17-18H2,1-2H3