3-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethynyl]isochromen-1-one

Systemtic Name: 3-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethynyl]isochromen-1-one Openeye Name: 3-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethynyl]isochromen-1-one CAS Name: 3-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethynyl]-2-benzopyran-1-one IUPAC Name: 3-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethynyl]isochromen-1-one Traditional Name: 3-(4-methoxyphenyl)-4-[2-(4-methoxyphenyl)ethynyl]isocoumarin Formula: C25H18O4 MolecularWeight: 382.40802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=C(OC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=C(OC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H18O4/c1-27-19-12-7-17(8-13-19)9-16-22-21-5-3-4-6-23(21)25(26)29-24(22)18-10-14-20(28-2)15-11-18/h3-8,10-15H,1-2H3