ethyl 6-methyl-6-oxidanyl-oct-7-ynoate

Systemtic Name: ethyl 6-methyl-6-oxidanyl-oct-7-ynoate Openeye Name: ethyl 6-hydroxy-6-methyl-oct-7-ynoate CAS Name: 6-hydroxy-6-methyl-7-octynoic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-6-methyloct-7-ynoate Traditional Name: 6-hydroxy-6-methyl-oct-7-ynoic acid ethyl ester Formula: C11H18O3 MolecularWeight: 198.25882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(C)(C#C)O

Isomeric SMILES

CCOC(=O)CCCCC(C)(C#C)O

InChI

InChI=1S/C11H18O3/c1-4-11(3,13)9-7-6-8-10(12)14-5-2/h1,13H,5-9H2,2-3H3