3-[(4-nitrophenyl)methylsulfanyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]thiophene-2-carboxylic acid Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]thiophene-2-carboxylic acid CAS Name: 3-[(4-nitrophenyl)methylthio]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]thiophene-2-carboxylic acid Traditional Name: 3-[(4-nitrobenzyl)thio]-2-thenoic acid Formula: C12H9NO4S2 MolecularWeight: 295.33416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO4S2/c14-12(15)11-10(5-6-18-11)19-7-8-1-3-9(4-2-8)13(16)17/h1-6H,7H2,(H,14,15)