4-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 4-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid CAS Name: 4-[5-[(4-methoxy-3-nitrophenyl)methylthio]-1-tetrazolyl]benzoic acid IUPAC Name: 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid Traditional Name: 4-[5-[(4-methoxy-3-nitro-benzyl)thio]tetrazol-1-yl]benzoic acid Formula: C16H13N5O5S MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5S/c1-26-14-7-2-10(8-13(14)21(24)25)9-27-16-17-18-19-20(16)12-5-3-11(4-6-12)15(22)23/h2-8H,9H2,1H3,(H,22,23)