5-nitro-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-nitro-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid Openeye Name: 5-nitro-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid CAS Name: 5-nitro-2-[(4-nitrophenyl)methylthio]benzoic acid IUPAC Name: 5-nitro-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 5-nitro-2-[(4-nitrobenzyl)thio]benzoic acid Formula: C14H10N2O6S MolecularWeight: 334.304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

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