1-nitro-4-[(4-nitrophenyl)-sulfinyl-methyl]benzene

Systemtic Name: 1-nitro-4-[(4-nitrophenyl)-sulfinyl-methyl]benzene Openeye Name: 1-nitro-4-[(4-nitrophenyl)-sulfinyl-methyl]benzene CAS Name: 1-nitro-4-[(4-nitrophenyl)-sulfinylmethyl]benzene IUPAC Name: 1-nitro-4-[(4-nitrophenyl)-sulfinylmethyl]benzene Traditional Name: 1-nitro-4-[(4-nitrophenyl)-sulfinyl-methyl]benzene Formula: C13H8N2O5S MolecularWeight: 304.27802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=S=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O5S/c16-14(17)11-5-1-9(2-6-11)13(21-20)10-3-7-12(8-4-10)15(18)19/h1-8H