4-butyl-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-butyl-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-butyl-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-butyl-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-butyl-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-butyl-7-hydroxy-8-methyl-coumarin Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)O

InChI

InChI=1S/C14H16O3/c1-3-4-5-10-8-13(16)17-14-9(2)12(15)7-6-11(10)14/h6-8,15H,3-5H2,1-2H3