4-butyl-3-methyl-5-oxidanyl-chromen-2-one

Systemtic Name: 4-butyl-3-methyl-5-oxidanyl-chromen-2-one Openeye Name: 4-butyl-5-hydroxy-3-methyl-chromen-2-one CAS Name: 4-butyl-5-hydroxy-3-methyl-1-benzopyran-2-one IUPAC Name: 4-butyl-5-hydroxy-3-methylchromen-2-one Traditional Name: 4-butyl-5-hydroxy-3-methyl-coumarin Formula: C14H16O3 MolecularWeight: 232.27504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)OC2=C1C(=CC=C2)O)C

Isomeric SMILES

CCCCC1=C(C(=O)OC2=C1C(=CC=C2)O)C

InChI

InChI=1S/C14H16O3/c1-3-4-6-10-9(2)14(16)17-12-8-5-7-11(15)13(10)12/h5,7-8,15H,3-4,6H2,1-2H3