(E)-7-(cyclohexen-1-yl)-2-methoxycarbonyl-hept-4-en-6-ynoate

Systemtic Name: (E)-7-(cyclohexen-1-yl)-2-methoxycarbonyl-hept-4-en-6-ynoate Openeye Name: (E)-7-(cyclohexen-1-yl)-2-methoxycarbonyl-hept-4-en-6-ynoate CAS Name: (E)-7-(1-cyclohexenyl)-2-methoxycarbonylhept-4-en-6-ynoate IUPAC Name: (E)-7-(cyclohexen-1-yl)-2-methoxycarbonylhept-4-en-6-ynoate Traditional Name: (E)-2-carbomethoxy-7-(cyclohexen-1-yl)hept-4-en-6-ynoate Formula: C15H17O4- MolecularWeight: 261.29308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CC#CC1=CCCCC1)C(=O)[O-]

Isomeric SMILES

COC(=O)C(C/C=C/C#CC1=CCCCC1)C(=O)[O-]

InChI

InChI=1S/C15H18O4/c1-19-15(18)13(14(16)17)11-7-3-6-10-12-8-4-2-5-9-12/h3,7-8,13H,2,4-5,9,11H2,1H3,(H,16,17)/p-1/b7-3+