methyl 2-ethanoyl-3-[(E)-prop-1-enyl]non-4-ynoate

Systemtic Name: methyl 2-ethanoyl-3-[(E)-prop-1-enyl]non-4-ynoate Openeye Name: methyl 2-acetyl-3-[(E)-prop-1-enyl]non-4-ynoate CAS Name: 2-acetyl-3-[(E)-prop-1-enyl]-4-nonynoic acid methyl ester IUPAC Name: methyl 2-acetyl-3-[(E)-prop-1-enyl]non-4-ynoate Traditional Name: 2-acetyl-3-[(E)-prop-1-enyl]non-4-ynoic acid methyl ester Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC#CC(/C=C/C)C(C(=O)C)C(=O)OC

InChI

InChI=1S/C15H22O3/c1-5-7-8-9-11-13(10-6-2)14(12(3)16)15(17)18-4/h6,10,13-14H,5,7-8H2,1-4H3/b10-6+