ethyl (4E,6E)-3,7-dimethyl-3-oxidanyl-nona-4,6-dien-8-ynoate

Systemtic Name: ethyl (4E,6E)-3,7-dimethyl-3-oxidanyl-nona-4,6-dien-8-ynoate Openeye Name: ethyl (4E,6E)-3-hydroxy-3,7-dimethyl-nona-4,6-dien-8-ynoate CAS Name: (4E,6E)-3-hydroxy-3,7-dimethylnona-4,6-dien-8-ynoic acid ethyl ester IUPAC Name: ethyl (4E,6E)-3-hydroxy-3,7-dimethylnona-4,6-dien-8-ynoate Traditional Name: (4E,6E)-3-hydroxy-3,7-dimethyl-nona-4,6-dien-8-ynoic acid ethyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-5-11(3)8-7-9-13(4,15)10-12(14)16-6-2/h1,7-9,15H,6,10H2,2-4H3/b9-7+,11-8+