1-(1,3-benzodioxol-5-yl)hept-2-ynyl ethanoate

Systemtic Name: 1-(1,3-benzodioxol-5-yl)hept-2-ynyl ethanoate Openeye Name: 1-(1,3-benzodioxol-5-yl)hept-2-ynyl acetate CAS Name: acetic acid 1-(1,3-benzodioxol-5-yl)hept-2-ynyl ester IUPAC Name: 1-(1,3-benzodioxol-5-yl)hept-2-ynyl acetate Traditional Name: acetic acid 1-(1,3-benzodioxol-5-yl)hept-2-ynyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C1=CC2=C(C=C1)OCO2)OC(=O)C

Isomeric SMILES

CCCCC#CC(C1=CC2=C(C=C1)OCO2)OC(=O)C

InChI

InChI=1S/C16H18O4/c1-3-4-5-6-7-14(20-12(2)17)13-8-9-15-16(10-13)19-11-18-15/h8-10,14H,3-5,11H2,1-2H3