[1-(2,4-dichlorophenyl)-2-oxidanyl-2-pyridin-3-yl-octyl] methanesulfonate

Systemtic Name: [1-(2,4-dichlorophenyl)-2-oxidanyl-2-pyridin-3-yl-octyl] methanesulfonate Openeye Name: [1-(2,4-dichlorophenyl)-2-hydroxy-2-(3-pyridyl)octyl] methanesulfonate CAS Name: methanesulfonic acid [1-(2,4-dichlorophenyl)-2-hydroxy-2-(3-pyridinyl)octyl] ester IUPAC Name: [1-(2,4-dichlorophenyl)-2-hydroxy-2-pyridin-3-yloctyl] methanesulfonate Traditional Name: methanesulfonic acid [1-(2,4-dichlorophenyl)-2-hydroxy-2-(3-pyridyl)octyl] ester Formula: C20H25Cl2NO4S MolecularWeight: 446.3878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CN=CC=C1)(C(C2=C(C=C(C=C2)Cl)Cl)OS(=O)(=O)C)O

Isomeric SMILES

CCCCCCC(C1=CN=CC=C1)(C(C2=C(C=C(C=C2)Cl)Cl)OS(=O)(=O)C)O

InChI

InChI=1S/C20H25Cl2NO4S/c1-3-4-5-6-11-20(24,15-8-7-12-23-14-15)19(27-28(2,25)26)17-10-9-16(21)13-18(17)22/h7-10,12-14,19,24H,3-6,11H2,1-2H3