3,3,3-tris(4-chlorophenyl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3,3,3-tris(4-chlorophenyl)propyl 4-methylbenzenesulfonate Openeye Name: 3,3,3-tris(4-chlorophenyl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,3,3-tris(4-chlorophenyl)propyl ester IUPAC Name: 3,3,3-tris(4-chlorophenyl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,3,3-tris(4-chlorophenyl)propyl ester Formula: C28H23Cl3O3S MolecularWeight: 545.90442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H23Cl3O3S/c1-20-2-16-27(17-3-20)35(32,33)34-19-18-28(21-4-10-24(29)11-5-21,22-6-12-25(30)13-7-22)23-8-14-26(31)15-9-23/h2-17H,18-19H2,1H3