9-hexanoyl-6a-methyl-3-[(E)-prop-1-enyl]-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione

Systemtic Name: 9-hexanoyl-6a-methyl-3-[(E)-prop-1-enyl]-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione Openeye Name: 9-hexanoyl-6a-methyl-3-[(E)-prop-1-enyl]-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione CAS Name: 6a-methyl-9-(1-oxohexyl)-3-[(E)-prop-1-enyl]-9,9a-dihydrofuro[2,3-h][2]benzopyran-6,8-dione IUPAC Name: 9-hexanoyl-6a-methyl-3-[(E)-prop-1-enyl]-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione Traditional Name: 9-caproyl-6a-methyl-3-[(E)-prop-1-enyl]-9,9a-dihydrofur[2,3-h]isochromene-6,8-quinone Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1C2C3=COC(=CC3=CC(=O)C2(OC1=O)C)C=CC

Isomeric SMILES

CCCCCC(=O)C1C2C3=COC(=CC3=CC(=O)C2(OC1=O)C)/C=C/C

InChI

InChI=1S/C21H24O5/c1-4-6-7-9-16(22)18-19-15-12-25-14(8-5-2)10-13(15)11-17(23)21(19,3)26-20(18)24/h5,8,10-12,18-19H,4,6-7,9H2,1-3H3/b8-5+