3-butyl-7-methyl-7-oxidanyl-isochromene-6,8-dione

Systemtic Name: 3-butyl-7-methyl-7-oxidanyl-isochromene-6,8-dione Openeye Name: 3-butyl-7-hydroxy-7-methyl-isochromene-6,8-dione CAS Name: 3-butyl-7-hydroxy-7-methyl-2-benzopyran-6,8-dione IUPAC Name: 3-butyl-7-hydroxy-7-methylisochromene-6,8-dione Traditional Name: 3-butyl-7-hydroxy-7-methyl-isochromene-6,8-quinone Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)O

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)O

InChI

InChI=1S/C14H16O4/c1-3-4-5-10-6-9-7-12(15)14(2,17)13(16)11(9)8-18-10/h6-8,17H,3-5H2,1-2H3