[3-(2,4-dichlorophenyl)-2-(oxan-4-yl)oxiran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-(2,4-dichlorophenyl)-2-(oxan-4-yl)oxiran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3-(2,4-dichlorophenyl)-2-tetrahydropyran-4-yl-oxiran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2,4-dichlorophenyl)-2-(4-oxanyl)-2-oxiranyl]methyl ester IUPAC Name: [3-(2,4-dichlorophenyl)-2-(oxan-4-yl)oxiran-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2,4-dichlorophenyl)-2-tetrahydropyran-4-yl-oxiran-2-yl]methyl ester Formula: C21H22Cl2O5S MolecularWeight: 457.36738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C(O2)C3=C(C=C(C=C3)Cl)Cl)C4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C(O2)C3=C(C=C(C=C3)Cl)Cl)C4CCOCC4

InChI

InChI=1S/C21H22Cl2O5S/c1-14-2-5-17(6-3-14)29(24,25)27-13-21(15-8-10-26-11-9-15)20(28-21)18-7-4-16(22)12-19(18)23/h2-7,12,15,20H,8-11,13H2,1H3