4-butyl-6-ethanoyl-7-methyl-5-oxidanyl-chromen-2-one

Systemtic Name: 4-butyl-6-ethanoyl-7-methyl-5-oxidanyl-chromen-2-one Openeye Name: 6-acetyl-4-butyl-5-hydroxy-7-methyl-chromen-2-one CAS Name: 6-acetyl-4-butyl-5-hydroxy-7-methyl-1-benzopyran-2-one IUPAC Name: 6-acetyl-4-butyl-5-hydroxy-7-methylchromen-2-one Traditional Name: 6-acetyl-4-butyl-5-hydroxy-7-methyl-coumarin Formula: C16H18O4 MolecularWeight: 274.31172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4/c1-4-5-6-11-8-13(18)20-12-7-9(2)14(10(3)17)16(19)15(11)12/h7-8,19H,4-6H2,1-3H3