6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl 4-methylbenzenesulfonate Openeye Name: [5-[4-(4-chlorophenyl)phenoxy]-1-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl ester IUPAC Name: 6-[4-(4-chlorophenyl)phenoxy]hexan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[4-(4-chlorophenyl)phenoxy]-1-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)OC(C)CCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H27ClO4S/c1-19-6-16-25(17-7-19)31(27,28)30-20(2)5-3-4-18-29-24-14-10-22(11-15-24)21-8-12-23(26)13-9-21/h6-17,20H,3-5,18H2,1-2H3