3-phenyl-4-(2-phenylethynyl)isochromen-1-one

Systemtic Name: 3-phenyl-4-(2-phenylethynyl)isochromen-1-one Openeye Name: 3-phenyl-4-(2-phenylethynyl)isochromen-1-one CAS Name: 3-phenyl-4-(2-phenylethynyl)-2-benzopyran-1-one IUPAC Name: 3-phenyl-4-(2-phenylethynyl)isochromen-1-one Traditional Name: 3-phenyl-4-(2-phenylethynyl)isocoumarin Formula: C23H14O2 MolecularWeight: 322.35606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H14O2/c24-23-21-14-8-7-13-19(21)20(16-15-17-9-3-1-4-10-17)22(25-23)18-11-5-2-6-12-18/h1-14H