5-ethynyl-3,5-bis(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: 5-ethynyl-3,5-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: 5-ethynyl-3,5-dihydroxy-cyclohexene-1-carboxylate CAS Name: 5-ethynyl-3,5-dihydroxy-1-cyclohexenecarboxylate IUPAC Name: 5-ethynyl-3,5-dihydroxycyclohexene-1-carboxylate Traditional Name: 5-ethynyl-3,5-dihydroxy-cyclohexene-1-carboxylate Formula: C9H9O4- MolecularWeight: 181.16536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CC(C=C(C1)C(=O)[O-])O)O

Isomeric SMILES

C#CC1(CC(C=C(C1)C(=O)[O-])O)O

InChI

InChI=1S/C9H10O4/c1-2-9(13)4-6(8(11)12)3-7(10)5-9/h1,3,7,10,13H,4-5H2,(H,11,12)/p-1