2-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]propanedioic acid

Systemtic Name: 2-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]propanedioic acid Openeye Name: 2-(1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)propanedioic acid CAS Name: 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propanedioic acid IUPAC Name: 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propanedioic acid Traditional Name: 2-(1,1-diketo-2,3-dihydrobenzothiophen-3-yl)malonic acid Formula: C11H10O6S MolecularWeight: 270.2585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2S1(=O)=O)C(C(=O)O)C(=O)O

Isomeric SMILES

C1C(C2=CC=CC=C2S1(=O)=O)C(C(=O)O)C(=O)O

InChI

InChI=1S/C11H10O6S/c12-10(13)9(11(14)15)7-5-18(16,17)8-4-2-1-3-6(7)8/h1-4,7,9H,5H2,(H,12,13)(H,14,15)