3-oxidanylidene-2-thiophen-2-yl-heptanedioic acid

Systemtic Name: 3-oxidanylidene-2-thiophen-2-yl-heptanedioic acid Openeye Name: 3-oxo-2-(2-thienyl)heptanedioic acid CAS Name: 3-oxo-2-thiophen-2-ylheptanedioic acid IUPAC Name: 3-oxo-2-thiophen-2-ylheptanedioic acid Traditional Name: 3-keto-2-(2-thienyl)pimelic acid Formula: C11H12O5S MolecularWeight: 256.27498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C(=O)CCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C(C(=O)CCCC(=O)O)C(=O)O

InChI

InChI=1S/C11H12O5S/c12-7(3-1-5-9(13)14)10(11(15)16)8-4-2-6-17-8/h2,4,6,10H,1,3,5H2,(H,13,14)(H,15,16)