3-nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid Openeye Name: 3-nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid CAS Name: 3-nitro-4-[[(4-nitrophenyl)thio]methyl]benzoic acid IUPAC Name: 3-nitro-4-[(4-nitrophenyl)sulfanylmethyl]benzoic acid Traditional Name: 3-nitro-4-[[(4-nitrophenyl)thio]methyl]benzoic acid Formula: C14H10N2O6S MolecularWeight: 334.304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O6S/c17-14(18)9-1-2-10(13(7-9)16(21)22)8-23-12-5-3-11(4-6-12)15(19)20/h1-7H,8H2,(H,17,18)