7-butoxy-8-(3-methylbutyl)chromen-2-one

Systemtic Name: 7-butoxy-8-(3-methylbutyl)chromen-2-one Openeye Name: 7-butoxy-8-isopentyl-chromen-2-one CAS Name: 7-butoxy-8-(3-methylbutyl)-1-benzopyran-2-one IUPAC Name: 7-butoxy-8-(3-methylbutyl)chromen-2-one Traditional Name: 7-butoxy-8-isoamyl-coumarin Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=C(C=C1)C=CC(=O)O2)CCC(C)C

Isomeric SMILES

CCCCOC1=C(C2=C(C=C1)C=CC(=O)O2)CCC(C)C

InChI

InChI=1S/C18H24O3/c1-4-5-12-20-16-10-7-14-8-11-17(19)21-18(14)15(16)9-6-13(2)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3