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

Systemtic Name: 4-[[6-[3-(3-methoxyphenyl)prop-1-ynyl]-4-oxidanylidene-chromen-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(3-methoxyphenyl)prop-1-ynyl]-4-oxo-chromen-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(3-methoxyphenyl)prop-1-ynyl]-4-oxo-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(3-methoxyphenyl)prop-1-ynyl]-4-oxochromen-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-(3-methoxyphenyl)prop-1-ynyl]chromen-3-yl]methyl]benzoic acid Formula: C27H20O5 MolecularWeight: 424.4447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC#CC2=CC3=C(C=C2)OC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC#CC2=CC3=C(C=C2)OC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H20O5/c1-31-23-7-3-6-18(15-23)4-2-5-19-10-13-25-24(16-19)26(28)22(17-32-25)14-20-8-11-21(12-9-20)27(29)30/h3,6-13,15-17H,4,14H2,1H3,(H,29,30)