[3-(2-chlorophenyl)-2-(1,3-dioxan-2-ylmethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-(2-chlorophenyl)-2-(1,3-dioxan-2-ylmethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3-(2-chlorophenyl)-2-(1,3-dioxan-2-ylmethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-chlorophenyl)-2-(1,3-dioxan-2-ylmethyl)-2-oxiranyl]methyl ester IUPAC Name: [3-(2-chlorophenyl)-2-(1,3-dioxan-2-ylmethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-chlorophenyl)-2-(1,3-dioxan-2-ylmethyl)oxiran-2-yl]methyl ester Formula: C21H23ClO6S MolecularWeight: 438.92172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C(O2)C3=CC=CC=C3Cl)CC4OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C(O2)C3=CC=CC=C3Cl)CC4OCCCO4

InChI

InChI=1S/C21H23ClO6S/c1-15-7-9-16(10-8-15)29(23,24)27-14-21(13-19-25-11-4-12-26-19)20(28-21)17-5-2-3-6-18(17)22/h2-3,5-10,19-20H,4,11-14H2,1H3