1-nitro-2-[(3-oxidanylsulfanylphenyl)methyl]benzene

Systemtic Name: 1-nitro-2-[(3-oxidanylsulfanylphenyl)methyl]benzene Openeye Name: 1-[(3-hydroxysulfanylphenyl)methyl]-2-nitro-benzene CAS Name: 3-[(2-nitrophenyl)methyl]benzenesulfenic acid IUPAC Name: 1-[(3-hydroxysulfanylphenyl)methyl]-2-nitrobenzene Traditional Name: 1-nitro-2-(3-sulfenobenzyl)benzene Formula: C13H11NO3S MolecularWeight: 261.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC(=CC=C2)SO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC(=CC=C2)SO)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO3S/c15-14(16)13-7-2-1-5-11(13)8-10-4-3-6-12(9-10)18-17/h1-7,9,17H,8H2