1-(tert-butylamino)-3-(2-chloranyl-5-methyl-phenoxy)propan-2-ol; octyl sulfate

Systemtic Name: 1-(tert-butylamino)-3-(2-chloranyl-5-methyl-phenoxy)propan-2-ol; octyl sulfate Openeye Name: 1-(tert-butylamino)-3-(2-chloro-5-methyl-phenoxy)propan-2-ol; octyl sulfate CAS Name: 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)-2-propanol; octyl sulfate IUPAC Name: 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol; octyl sulfate Traditional Name: 1-(tert-butylamino)-3-(2-chloro-5-methyl-phenoxy)propan-2-ol; octyl sulfate Formula: C22H39ClNO6S- MolecularWeight: 481.06616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)[O-].CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)C)O

Isomeric SMILES

CCCCCCCCOS(=O)(=O)[O-].CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C14H22ClNO2.C8H18O4S/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4;1-2-3-4-5-6-7-8-12-13(9,10)11/h5-7,11,16-17H,8-9H2,1-4H3;2-8H2,1H3,(H,9,10,11)/p-1