ethyl (E,4S)-2,4-dimethyl-7-oxidanyl-non-2-en-8-ynoate

Systemtic Name: ethyl (E,4S)-2,4-dimethyl-7-oxidanyl-non-2-en-8-ynoate Openeye Name: ethyl (E,4S)-7-hydroxy-2,4-dimethyl-non-2-en-8-ynoate CAS Name: (E,4S)-7-hydroxy-2,4-dimethylnon-2-en-8-ynoic acid ethyl ester IUPAC Name: ethyl (E,4S)-7-hydroxy-2,4-dimethylnon-2-en-8-ynoate Traditional Name: (E,4S)-7-hydroxy-2,4-dimethyl-non-2-en-8-ynoic acid ethyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C/[C@@H](C)CCC(C#C)O)/C

InChI

InChI=1S/C13H20O3/c1-5-12(14)8-7-10(3)9-11(4)13(15)16-6-2/h1,9-10,12,14H,6-8H2,2-4H3/b11-9+/t10-,12?/m0/s1