3-[2-(4-methylphenyl)ethynyl]chromen-2-one

Systemtic Name: 3-[2-(4-methylphenyl)ethynyl]chromen-2-one Openeye Name: 3-[2-(p-tolyl)ethynyl]chromen-2-one CAS Name: 3-[2-(4-methylphenyl)ethynyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(4-methylphenyl)ethynyl]chromen-2-one Traditional Name: 3-[2-(p-tolyl)ethynyl]coumarin Formula: C18H12O2 MolecularWeight: 260.28668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C18H12O2/c1-13-6-8-14(9-7-13)10-11-16-12-15-4-2-3-5-17(15)20-18(16)19/h2-9,12H,1H3