5-[(4-nitrophenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-nitrophenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-nitrophenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-nitrophenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-nitrophenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(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=CC=C(O2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC2=CC=C(O2)C(=O)O

InChI

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