ethyl 5,5-dimethyl-4-oxidanyl-octa-6,7-dien-2-ynoate

Systemtic Name: ethyl 5,5-dimethyl-4-oxidanyl-octa-6,7-dien-2-ynoate Openeye Name: ethyl 4-hydroxy-5,5-dimethyl-octa-6,7-dien-2-ynoate CAS Name: 4-hydroxy-5,5-dimethylocta-6,7-dien-2-ynoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-5,5-dimethylocta-6,7-dien-2-ynoate Traditional Name: 4-hydroxy-5,5-dimethyl-octa-6,7-dien-2-ynoic acid ethyl ester Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3/c1-5-9-12(3,4)10(13)7-8-11(14)15-6-2/h9-10,13H,1,6H2,2-4H3