[4,4-bis(chloranyl)-5-methyl-5-(oxan-2-yloxy)hexyl] 4-methylbenzenesulfonate

Systemtic Name: [4,4-bis(chloranyl)-5-methyl-5-(oxan-2-yloxy)hexyl] 4-methylbenzenesulfonate Openeye Name: (4,4-dichloro-5-methyl-5-tetrahydropyran-2-yloxy-hexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,4-dichloro-5-methyl-5-(2-oxanyloxy)hexyl] ester IUPAC Name: [4,4-dichloro-5-methyl-5-(oxan-2-yloxy)hexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4,4-dichloro-5-methyl-5-tetrahydropyran-2-yloxy-hexyl) ester Formula: C19H28Cl2O5S MolecularWeight: 439.39362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C(C)(C)OC2CCCCO2)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C(C)(C)OC2CCCCO2)(Cl)Cl

InChI

InChI=1S/C19H28Cl2O5S/c1-15-8-10-16(11-9-15)27(22,23)25-14-6-12-19(20,21)18(2,3)26-17-7-4-5-13-24-17/h8-11,17H,4-7,12-14H2,1-3H3