6-tert-butyl-4-[4-(2-phenylethynyl)phenyl]chromen-2-one

Systemtic Name: 6-tert-butyl-4-[4-(2-phenylethynyl)phenyl]chromen-2-one Openeye Name: 6-tert-butyl-4-[4-(2-phenylethynyl)phenyl]chromen-2-one CAS Name: 6-tert-butyl-4-[4-(2-phenylethynyl)phenyl]-1-benzopyran-2-one IUPAC Name: 6-tert-butyl-4-[4-(2-phenylethynyl)phenyl]chromen-2-one Traditional Name: 6-tert-butyl-4-[4-(2-phenylethynyl)phenyl]coumarin Formula: C27H22O2 MolecularWeight: 378.46238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H22O2/c1-27(2,3)22-15-16-25-24(17-22)23(18-26(28)29-25)21-13-11-20(12-14-21)10-9-19-7-5-4-6-8-19/h4-8,11-18H,1-3H3