1-(dodecylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol hydrochloride

Systemtic Name: 1-(dodecylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol hydrochloride Openeye Name: 1-(dodecylamino)-3-(4-isopropylsulfanylphenoxy)propan-2-ol hydrochloride CAS Name: 1-(dodecylamino)-3-[4-(propan-2-ylthio)phenoxy]-2-propanol hydrochloride IUPAC Name: 1-(dodecylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol hydrochloride Traditional Name: 1-[4-(isopropylthio)phenoxy]-3-(laurylamino)propan-2-ol hydrochloride Formula: C24H44ClNO2S MolecularWeight: 446.12966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNCC(COC1=CC=C(C=C1)SC(C)C)O.Cl

Isomeric SMILES

CCCCCCCCCCCCNCC(COC1=CC=C(C=C1)SC(C)C)O.Cl

InChI

InChI=1S/C24H43NO2S.ClH/c1-4-5-6-7-8-9-10-11-12-13-18-25-19-22(26)20-27-23-14-16-24(17-15-23)28-21(2)3;/h14-17,21-22,25-26H,4-13,18-20H2,1-3H3;1H