3-butyl-4-methyl-6-(2-methylpropyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 3-butyl-4-methyl-6-(2-methylpropyl)-7-oxidanyl-chromen-2-one Openeye Name: 3-butyl-7-hydroxy-6-isobutyl-4-methyl-chromen-2-one CAS Name: 3-butyl-7-hydroxy-4-methyl-6-(2-methylpropyl)-1-benzopyran-2-one IUPAC Name: 3-butyl-7-hydroxy-4-methyl-6-(2-methylpropyl)chromen-2-one Traditional Name: 3-butyl-7-hydroxy-6-isobutyl-4-methyl-coumarin Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC(=C(C=C2OC1=O)O)CC(C)C)C

Isomeric SMILES

CCCCC1=C(C2=CC(=C(C=C2OC1=O)O)CC(C)C)C

InChI

InChI=1S/C18H24O3/c1-5-6-7-14-12(4)15-9-13(8-11(2)3)16(19)10-17(15)21-18(14)20/h9-11,19H,5-8H2,1-4H3