3-ethynyl-3-oxidanyl-pentanedioic acid

Systemtic Name: 3-ethynyl-3-oxidanyl-pentanedioic acid Openeye Name: 3-ethynyl-3-hydroxy-pentanedioic acid CAS Name: 3-ethynyl-3-hydroxypentanedioic acid IUPAC Name: 3-ethynyl-3-hydroxypentanedioic acid Traditional Name: 3-ethynyl-3-hydroxy-glutaric acid Formula: C7H8O5 MolecularWeight: 172.13542

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC(=O)O)(CC(=O)O)O

Isomeric SMILES

C#CC(CC(=O)O)(CC(=O)O)O

InChI

InChI=1S/C7H8O5/c1-2-7(12,3-5(8)9)4-6(10)11/h1,12H,3-4H2,(H,8,9)(H,10,11)