2-[2-nitro-4-(phenylsulfonyl)phenyl]sulfanylethanol

Systemtic Name: 2-[2-nitro-4-(phenylsulfonyl)phenyl]sulfanylethanol Openeye Name: 2-[4-(benzenesulfonyl)-2-nitro-phenyl]sulfanylethanol CAS Name: 2-[[4-(benzenesulfonyl)-2-nitrophenyl]thio]ethanol IUPAC Name: 2-[4-(benzenesulfonyl)-2-nitrophenyl]sulfanylethanol Traditional Name: 2-[(4-besyl-2-nitro-phenyl)thio]ethanol Formula: C14H13NO5S2 MolecularWeight: 339.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO5S2/c16-8-9-21-14-7-6-12(10-13(14)15(17)18)22(19,20)11-4-2-1-3-5-11/h1-7,10,16H,8-9H2