5-[(5-carboxyfuran-2-yl)methylsulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(5-carboxyfuran-2-yl)methylsulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(5-carboxy-2-furyl)methylsulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(5-carboxy-2-furanyl)methylthio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(5-carboxyfuran-2-yl)methylsulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(5-carboxy-2-furyl)methylthio]methyl]-2-furoic acid Formula: C12H10O6S MolecularWeight: 282.2692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)O)CSCC2=CC=C(O2)C(=O)O

Isomeric SMILES

C1=C(OC(=C1)C(=O)O)CSCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H10O6S/c13-11(14)9-3-1-7(17-9)5-19-6-8-2-4-10(18-8)12(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)