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

Systemtic Name: 2-[(Z)-7-methoxy-7,7-diphenyl-hept-3-en-1,5-diyn-4-yl]benzoic acid Openeye Name: 2-[(Z)-1-(3-methoxy-3,3-diphenyl-prop-1-ynyl)but-1-en-3-ynyl]benzoic acid CAS Name: 2-[(Z)-7-methoxy-7,7-diphenylhept-3-en-1,5-diyn-4-yl]benzoic acid IUPAC Name: 2-[(Z)-7-methoxy-7,7-diphenylhept-3-en-1,5-diyn-4-yl]benzoic acid Traditional Name: 2-[(Z)-1-(3-methoxy-3,3-diphenyl-prop-1-ynyl)but-1-en-3-ynyl]benzoic acid Formula: C27H20O3 MolecularWeight: 392.4459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20O3/c1-3-12-21(24-17-10-11-18-25(24)26(28)29)19-20-27(30-2,22-13-6-4-7-14-22)23-15-8-5-9-16-23/h1,4-18H,2H3,(H,28,29)/b21-12-