2-azanyl-3-bis(oxidanyl)phosphinothioyloxy-2-[5-(4-octylphenyl)-1H-imidazol-2-yl]propan-1-ol hydrochloride

Systemtic Name: 2-azanyl-3-bis(oxidanyl)phosphinothioyloxy-2-[5-(4-octylphenyl)-1H-imidazol-2-yl]propan-1-ol hydrochloride Openeye Name: 2-amino-3-dihydroxyphosphinothioyloxy-2-[5-(4-octylphenyl)-1H-imidazol-2-yl]propan-1-ol hydrochloride CAS Name: 2-amino-3-dihydroxyphosphinothioyloxy-2-[5-(4-octylphenyl)-1H-imidazol-2-yl]-1-propanol hydrochloride IUPAC Name: 2-amino-3-dihydroxyphosphinothioyloxy-2-[5-(4-octylphenyl)-1H-imidazol-2-yl]propan-1-ol hydrochloride Traditional Name: 2-amino-3-dihydroxythiophosphoryloxy-2-[5-(4-octylphenyl)-1H-imidazol-2-yl]propan-1-ol hydrochloride Formula: C20H33ClN3O4PS MolecularWeight: 477.985481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N2)C(CO)(COP(=S)(O)O)N.Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N2)C(CO)(COP(=S)(O)O)N.Cl

InChI

InChI=1S/C20H32N3O4PS.ClH/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-22-19(23-18)20(21,14-24)15-27-28(25,26)29;/h9-13,24H,2-8,14-15,21H2,1H3,(H,22,23)(H2,25,26,29);1H