2-ethylsulfanyl-4-(hydroxymethyl)-5-nitro-phenol

Systemtic Name: 2-ethylsulfanyl-4-(hydroxymethyl)-5-nitro-phenol Openeye Name: 2-ethylsulfanyl-4-(hydroxymethyl)-5-nitro-phenol CAS Name: 2-(ethylthio)-4-(hydroxymethyl)-5-nitrophenol IUPAC Name: 2-ethylsulfanyl-4-(hydroxymethyl)-5-nitrophenol Traditional Name: 2-(ethylthio)-4-methylol-5-nitro-phenol Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C(=C1)CO)[N+](=O)[O-])O

Isomeric SMILES

CCSC1=C(C=C(C(=C1)CO)[N+](=O)[O-])O

InChI

InChI=1S/C9H11NO4S/c1-2-15-9-3-6(5-11)7(10(13)14)4-8(9)12/h3-4,11-12H,2,5H2,1H3