4-(2-methylpropyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(2-methylpropyl)-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-isobutyl-chromen-2-one CAS Name: 7-hydroxy-4-(2-methylpropyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-(2-methylpropyl)chromen-2-one Traditional Name: 7-hydroxy-4-isobutyl-coumarin Formula: C13H14O3 MolecularWeight: 218.24846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=O)OC2=C1C=CC(=C2)O

Isomeric SMILES

CC(C)CC1=CC(=O)OC2=C1C=CC(=C2)O

InChI

InChI=1S/C13H14O3/c1-8(2)5-9-6-13(15)16-12-7-10(14)3-4-11(9)12/h3-4,6-8,14H,5H2,1-2H3