6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-propyl-chromen-2-one

Systemtic Name: 6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-propyl-chromen-2-one Openeye Name: 5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-propyl-chromen-2-one CAS Name: 5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methyl-1-oxobutyl)-4-propyl-1-benzopyran-2-one IUPAC Name: 5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-propylchromen-2-one Traditional Name: 5,7-dihydroxy-6-isovaleryl-8-(3-methylbut-2-enyl)-4-propyl-coumarin Formula: C22H28O5 MolecularWeight: 372.45472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O

InChI

InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-15(9-8-12(2)3)20(25)19(21(26)18(14)22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3