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

Systemtic Name: 2-[(E)-7-(methoxymethoxy)-7,7-diphenyl-hept-3-en-1,5-diyn-4-yl]benzoic acid Openeye Name: 2-[(E)-1-[3-(methoxymethoxy)-3,3-diphenyl-prop-1-ynyl]but-1-en-3-ynyl]benzoic acid CAS Name: 2-[(E)-7-(methoxymethoxy)-7,7-diphenylhept-3-en-1,5-diyn-4-yl]benzoic acid IUPAC Name: 2-[(E)-7-(methoxymethoxy)-7,7-diphenylhept-3-en-1,5-diyn-4-yl]benzoic acid Traditional Name: 2-[(E)-1-[3-(methoxymethoxy)-3,3-diphenyl-prop-1-ynyl]but-1-en-3-ynyl]benzoic acid Formula: C28H22O4 MolecularWeight: 422.47188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22O4/c1-3-12-22(25-17-10-11-18-26(25)27(29)30)19-20-28(32-21-31-2,23-13-6-4-7-14-23)24-15-8-5-9-16-24/h1,4-18H,21H2,2H3,(H,29,30)/b22-12+