4-butyl-4-methyl-isochromene-1,3-dione

Systemtic Name: 4-butyl-4-methyl-isochromene-1,3-dione Openeye Name: 4-butyl-4-methyl-isochromane-1,3-dione CAS Name: 4-butyl-4-methyl-3,4-dihydro-1H-2-benzopyran-1,3-dione IUPAC Name: 4-butyl-4-methylisochromene-1,3-dione Traditional Name: 4-butyl-4-methyl-isochroman-1,3-quinone Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=CC=CC=C2C(=O)OC1=O)C

Isomeric SMILES

CCCCC1(C2=CC=CC=C2C(=O)OC1=O)C

InChI

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