8-(3-methylbutanoyl)-5,7-bis(oxidanyl)-4-phenyl-chromen-2-one

Systemtic Name: 8-(3-methylbutanoyl)-5,7-bis(oxidanyl)-4-phenyl-chromen-2-one Openeye Name: 5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-chromen-2-one CAS Name: 5,7-dihydroxy-8-(3-methyl-1-oxobutyl)-4-phenyl-1-benzopyran-2-one IUPAC Name: 5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenylchromen-2-one Traditional Name: 5,7-dihydroxy-8-isovaleryl-4-phenyl-coumarin Formula: C20H18O5 MolecularWeight: 338.35392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)O

InChI

InChI=1S/C20H18O5/c1-11(2)8-14(21)19-16(23)10-15(22)18-13(9-17(24)25-20(18)19)12-6-4-3-5-7-12/h3-7,9-11,22-23H,8H2,1-2H3