3-methylbutyl hept-2-ynoate

Systemtic Name: 3-methylbutyl hept-2-ynoate Openeye Name: isopentyl hept-2-ynoate CAS Name: 2-heptynoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl hept-2-ynoate Traditional Name: hept-2-ynoic acid isoamyl ester Formula: C12H20O2 MolecularWeight: 196.286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=O)OCCC(C)C

Isomeric SMILES

CCCCC#CC(=O)OCCC(C)C

InChI

InChI=1S/C12H20O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h11H,4-6,9-10H2,1-3H3