4-butyl-3-methyl-8-oxidanyl-chromen-2-one

Systemtic Name: 4-butyl-3-methyl-8-oxidanyl-chromen-2-one Openeye Name: 4-butyl-8-hydroxy-3-methyl-chromen-2-one CAS Name: 4-butyl-8-hydroxy-3-methyl-1-benzopyran-2-one IUPAC Name: 4-butyl-8-hydroxy-3-methylchromen-2-one Traditional Name: 4-butyl-8-hydroxy-3-methyl-coumarin Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)OC2=C1C=CC=C2O)C

Isomeric SMILES

CCCCC1=C(C(=O)OC2=C1C=CC=C2O)C

InChI

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