methyl 2-[(Z)-7-methoxy-7,7-diphenyl-hept-3-en-1,5-diyn-4-yl]benzoate

Systemtic Name: methyl 2-[(Z)-7-methoxy-7,7-diphenyl-hept-3-en-1,5-diyn-4-yl]benzoate Openeye Name: methyl 2-[(Z)-1-(3-methoxy-3,3-diphenyl-prop-1-ynyl)but-1-en-3-ynyl]benzoate CAS Name: 2-[(Z)-7-methoxy-7,7-diphenylhept-3-en-1,5-diyn-4-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[(Z)-7-methoxy-7,7-diphenylhept-3-en-1,5-diyn-4-yl]benzoate Traditional Name: 2-[(Z)-1-(3-methoxy-3,3-diphenyl-prop-1-ynyl)but-1-en-3-ynyl]benzoic acid methyl ester Formula: C28H22O3 MolecularWeight: 406.47248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=CC#C)C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C(=C\C#C)/C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)OC

InChI

InChI=1S/C28H22O3/c1-4-13-22(25-18-11-12-19-26(25)27(29)30-2)20-21-28(31-3,23-14-7-5-8-15-23)24-16-9-6-10-17-24/h1,5-19H,2-3H3/b22-13-