(E)-2-methoxycarbonyl-7-phenyl-hept-4-en-6-ynoic acid

Systemtic Name: (E)-2-methoxycarbonyl-7-phenyl-hept-4-en-6-ynoic acid Openeye Name: (E)-2-methoxycarbonyl-7-phenyl-hept-4-en-6-ynoic acid CAS Name: (E)-2-methoxycarbonyl-7-phenylhept-4-en-6-ynoic acid IUPAC Name: (E)-2-methoxycarbonyl-7-phenylhept-4-en-6-ynoic acid Traditional Name: (E)-2-carbomethoxy-7-phenyl-hept-4-en-6-ynoic acid Formula: C15H14O4 MolecularWeight: 258.26926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CC#CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

COC(=O)C(C/C=C/C#CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H14O4/c1-19-15(18)13(14(16)17)11-7-3-6-10-12-8-4-2-5-9-12/h2-5,7-9,13H,11H2,1H3,(H,16,17)/b7-3+