5-(2-azanylethylsulfanyl)-2-chloranyl-4-nitro-phenol hydrate hydrochloride

Systemtic Name: 5-(2-azanylethylsulfanyl)-2-chloranyl-4-nitro-phenol hydrate hydrochloride Openeye Name: 5-(2-aminoethylsulfanyl)-2-chloro-4-nitro-phenol hydrate hydrochloride CAS Name: 5-(2-aminoethylthio)-2-chloro-4-nitrophenol hydrate hydrochloride IUPAC Name: 5-(2-aminoethylsulfanyl)-2-chloro-4-nitrophenol hydrate hydrochloride Traditional Name: 5-(2-aminoethylthio)-2-chloro-4-nitro-phenol hydrate hydrochloride Formula: C8H12Cl2N2O4S MolecularWeight: 303.16288

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)O)SCCN)[N+](=O)[O-].O.Cl

Isomeric SMILES

C1=C(C(=CC(=C1Cl)O)SCCN)[N+](=O)[O-].O.Cl

InChI

InChI=1S/C8H9ClN2O3S.ClH.H2O/c9-5-3-6(11(13)14)8(4-7(5)12)15-2-1-10;;/h3-4,12H,1-2,10H2;1H;1H2