[6-[2-(2,4-dichlorophenyl)-1-phenyl-ethoxy]oxan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-[2-(2,4-dichlorophenyl)-1-phenyl-ethoxy]oxan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-[2-(2,4-dichlorophenyl)-1-phenyl-ethoxy]tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[2-(2,4-dichlorophenyl)-1-phenylethoxy]-2-oxanyl]methyl ester IUPAC Name: [6-[2-(2,4-dichlorophenyl)-1-phenylethoxy]oxan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-[2-(2,4-dichlorophenyl)-1-phenyl-ethoxy]tetrahydropyran-2-yl]methyl ester Formula: C27H28Cl2O5S MolecularWeight: 535.47922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC(O2)OC(CC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC(O2)OC(CC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H28Cl2O5S/c1-19-10-14-24(15-11-19)35(30,31)32-18-23-8-5-9-27(33-23)34-26(20-6-3-2-4-7-20)16-21-12-13-22(28)17-25(21)29/h2-4,6-7,10-15,17,23,26-27H,5,8-9,16,18H2,1H3