4-nitro-2-[(3-nitrophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-nitro-2-[(3-nitrophenyl)methylsulfanyl]benzoic acid Openeye Name: 4-nitro-2-[(3-nitrophenyl)methylsulfanyl]benzoic acid CAS Name: 4-nitro-2-[(3-nitrophenyl)methylthio]benzoic acid IUPAC Name: 4-nitro-2-[(3-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 4-nitro-2-[(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=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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