butyl 7-methyl-2-oxidanyl-oct-3-ynoate

Systemtic Name: butyl 7-methyl-2-oxidanyl-oct-3-ynoate Openeye Name: butyl 2-hydroxy-7-methyl-oct-3-ynoate CAS Name: 2-hydroxy-7-methyl-3-octynoic acid butyl ester IUPAC Name: butyl 2-hydroxy-7-methyloct-3-ynoate Traditional Name: 2-hydroxy-7-methyl-oct-3-ynoic acid butyl ester Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C#CCCC(C)C)O

Isomeric SMILES

CCCCOC(=O)C(C#CCCC(C)C)O

InChI

InChI=1S/C13H22O3/c1-4-5-10-16-13(15)12(14)9-7-6-8-11(2)3/h11-12,14H,4-6,8,10H2,1-3H3