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

Systemtic Name: 8-(3-methylbutyl)-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-isopentyl-chromen-2-one CAS Name: 7-hydroxy-8-(3-methylbutyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-(3-methylbutyl)chromen-2-one Traditional Name: 7-hydroxy-8-isoamyl-coumarin Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=CC2=C1OC(=O)C=C2)O

Isomeric SMILES

CC(C)CCC1=C(C=CC2=C1OC(=O)C=C2)O

InChI

InChI=1S/C14H16O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h4-5,7-9,15H,3,6H2,1-2H3