3-[(4-nitrophenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 3-[(4-nitrophenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 3-[(4-nitrophenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 3-[[(4-nitrophenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 3-[(4-nitrophenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 3-[[(4-nitrophenyl)thio]methyl]-2-furoic acid Formula: C12H9NO5S MolecularWeight: 279.26856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC2=C(OC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC2=C(OC=C2)C(=O)O

InChI

InChI=1S/C12H9NO5S/c14-12(15)11-8(5-6-18-11)7-19-10-3-1-9(2-4-10)13(16)17/h1-6H,7H2,(H,14,15)