4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)chromen-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-6-(3-phenylprop-1-ynyl)chromen-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)chromen-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(3-phenylprop-1-ynyl)chromen-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(3-phenylprop-1-ynyl)chromen-3-yl]methyl]benzoic acid Formula: C26H18O4 MolecularWeight: 394.41872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)OC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)OC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H18O4/c27-25-22(15-20-9-12-21(13-10-20)26(28)29)17-30-24-14-11-19(16-23(24)25)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-14,16-17H,7,15H2,(H,28,29)