4,4,7-trimethyl-7-oxidanyl-octa-2,5-diynoate

Systemtic Name: 4,4,7-trimethyl-7-oxidanyl-octa-2,5-diynoate Openeye Name: 7-hydroxy-4,4,7-trimethyl-octa-2,5-diynoate CAS Name: 7-hydroxy-4,4,7-trimethylocta-2,5-diynoate IUPAC Name: 7-hydroxy-4,4,7-trimethylocta-2,5-diynoate Traditional Name: 7-hydroxy-4,4,7-trimethyl-octa-2,5-diynoate Formula: C11H13O3- MolecularWeight: 193.21912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O3/c1-10(2,6-5-9(12)13)7-8-11(3,4)14/h14H,1-4H3,(H,12,13)/p-1