nitrobenzene; 2-sulfanylethanol

Systemtic Name: nitrobenzene; 2-sulfanylethanol Openeye Name: nitrobenzene; 2-sulfanylethanol CAS Name: 2-mercaptoethanol; nitrobenzene IUPAC Name: nitrobenzene; 2-sulfanylethanol Traditional Name: 2-mercaptoethanol; nitrobenzene Formula: C8H11NO3S MolecularWeight: 201.24284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+](=O)[O-].C(CS)O

Isomeric SMILES

C1=CC=C(C=C1)[N+](=O)[O-].C(CS)O

InChI

InChI=1S/C6H5NO2.C2H6OS/c8-7(9)6-4-2-1-3-5-6;3-1-2-4/h1-5H;3-4H,1-2H2