4-oct-1-ynyl-3-(3-oxidanylidene-1-phenyl-butyl)chromen-2-one

Systemtic Name: 4-oct-1-ynyl-3-(3-oxidanylidene-1-phenyl-butyl)chromen-2-one Openeye Name: 4-oct-1-ynyl-3-(3-oxo-1-phenyl-butyl)chromen-2-one CAS Name: 4-oct-1-ynyl-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one IUPAC Name: 4-oct-1-ynyl-3-(3-oxo-1-phenylbutyl)chromen-2-one Traditional Name: 3-(3-keto-1-phenyl-butyl)-4-oct-1-ynyl-coumarin Formula: C27H28O3 MolecularWeight: 400.50942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=C(C(=O)OC2=CC=CC=C21)C(CC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC#CC1=C(C(=O)OC2=CC=CC=C21)C(CC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C27H28O3/c1-3-4-5-6-7-11-17-23-22-16-12-13-18-25(22)30-27(29)26(23)24(19-20(2)28)21-14-9-8-10-15-21/h8-10,12-16,18,24H,3-7,19H2,1-2H3