1-nitro-3-(phenylsulfinylmethyl)benzene

Systemtic Name: 1-nitro-3-(phenylsulfinylmethyl)benzene Openeye Name: 1-(benzenesulfinylmethyl)-3-nitro-benzene CAS Name: 1-(benzenesulfinylmethyl)-3-nitrobenzene IUPAC Name: 1-(benzenesulfinylmethyl)-3-nitrobenzene Traditional Name: 1-(benzenesulfinylmethyl)-3-nitro-benzene Formula: C13H11NO3S MolecularWeight: 261.29634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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