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

Systemtic Name: 4-(2-azanylethylsulfanyl)-2-chloranyl-5-nitro-phenol Openeye Name: 4-(2-aminoethylsulfanyl)-2-chloro-5-nitro-phenol CAS Name: 4-(2-aminoethylthio)-2-chloro-5-nitrophenol IUPAC Name: 4-(2-aminoethylsulfanyl)-2-chloro-5-nitrophenol Traditional Name: 4-(2-aminoethylthio)-2-chloro-5-nitro-phenol Formula: C8H9ClN2O3S MolecularWeight: 248.68666

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1O)Cl)SCCN)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=CC(=C1O)Cl)SCCN)[N+](=O)[O-]

InChI

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