2-(phenylcarbonyl)-2-thiophen-3-yl-propanedioic acid

Systemtic Name: 2-(phenylcarbonyl)-2-thiophen-3-yl-propanedioic acid Openeye Name: 2-benzoyl-2-(3-thienyl)propanedioic acid CAS Name: 2-benzoyl-2-(3-thiophenyl)propanedioic acid IUPAC Name: 2-benzoyl-2-thiophen-3-ylpropanedioic acid Traditional Name: 2-benzoyl-2-(3-thienyl)malonic acid Formula: C14H10O5S MolecularWeight: 290.2912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C2=CSC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C2=CSC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C14H10O5S/c15-11(9-4-2-1-3-5-9)14(12(16)17,13(18)19)10-6-7-20-8-10/h1-8H,(H,16,17)(H,18,19)