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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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