4-[1-(dibutylamino)-1-oxidanyl-propan-2-yl]oxybenzenesulfinate

Systemtic Name: 4-[1-(dibutylamino)-1-oxidanyl-propan-2-yl]oxybenzenesulfinate Openeye Name: 4-[2-(dibutylamino)-2-hydroxy-1-methyl-ethoxy]benzenesulfinate CAS Name: 4-[1-(dibutylamino)-1-hydroxypropan-2-yl]oxybenzenesulfinate IUPAC Name: 4-[1-(dibutylamino)-1-hydroxypropan-2-yl]oxybenzenesulfinate Traditional Name: 4-[2-(dibutylamino)-2-hydroxy-1-methyl-ethoxy]benzenesulfinate Formula: C17H28NO4S- MolecularWeight: 342.47352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(C(C)OC1=CC=C(C=C1)S(=O)[O-])O

Isomeric SMILES

CCCCN(CCCC)C(C(C)OC1=CC=C(C=C1)S(=O)[O-])O

InChI

InChI=1S/C17H29NO4S/c1-4-6-12-18(13-7-5-2)17(19)14(3)22-15-8-10-16(11-9-15)23(20)21/h8-11,14,17,19H,4-7,12-13H2,1-3H3,(H,20,21)/p-1