4-azanyl-5-(2-azanylethylsulfanyl)-2-chloranyl-phenol hydrate dihydrochloride

Systemtic Name: 4-azanyl-5-(2-azanylethylsulfanyl)-2-chloranyl-phenol hydrate dihydrochloride Openeye Name: 4-amino-5-(2-aminoethylsulfanyl)-2-chloro-phenol hydrate dihydrochloride CAS Name: 4-amino-5-(2-aminoethylthio)-2-chlorophenol hydrate dihydrochloride IUPAC Name: 4-amino-5-(2-aminoethylsulfanyl)-2-chlorophenol hydrate dihydrochloride Traditional Name: 4-amino-5-(2-aminoethylthio)-2-chloro-phenol hydrate dihydrochloride Formula: C8H15Cl3N2O2S MolecularWeight: 309.6409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)O)SCCN)N.O.Cl.Cl

Isomeric SMILES

C1=C(C(=CC(=C1Cl)O)SCCN)N.O.Cl.Cl

InChI

InChI=1S/C8H11ClN2OS.2ClH.H2O/c9-5-3-6(11)8(4-7(5)12)13-2-1-10;;;/h3-4,12H,1-2,10-11H2;2*1H;1H2