[6-[2-(2,4-dichlorophenyl)propan-2-yloxy]oxan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-[2-(2,4-dichlorophenyl)propan-2-yloxy]oxan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-[1-(2,4-dichlorophenyl)-1-methyl-ethoxy]tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[2-(2,4-dichlorophenyl)propan-2-yloxy]-2-oxanyl]methyl ester IUPAC Name: [6-[2-(2,4-dichlorophenyl)propan-2-yloxy]oxan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-[1-(2,4-dichlorophenyl)-1-methyl-ethoxy]tetrahydropyran-2-yl]methyl ester Formula: C22H26Cl2O5S MolecularWeight: 473.40984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC(O2)OC(C)(C)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC(O2)OC(C)(C)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H26Cl2O5S/c1-15-7-10-18(11-8-15)30(25,26)27-14-17-5-4-6-21(28-17)29-22(2,3)19-12-9-16(23)13-20(19)24/h7-13,17,21H,4-6,14H2,1-3H3