3-[[5-butanoyl-3,3-dimethyl-2,6-bis(oxidanyl)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]methyl]-6-propyl-pyran-2,4-dione

Systemtic Name: 3-[[5-butanoyl-3,3-dimethyl-2,6-bis(oxidanyl)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]methyl]-6-propyl-pyran-2,4-dione Openeye Name: 3-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxo-cyclohexa-1,5-dien-1-yl)methyl]-6-propyl-pyran-2,4-dione CAS Name: 3-[[2,6-dihydroxy-3,3-dimethyl-4-oxo-5-(1-oxobutyl)-1-cyclohexa-1,5-dienyl]methyl]-6-propylpyran-2,4-dione IUPAC Name: 3-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-6-propylpyran-2,4-dione Traditional Name: 3-[(5-butyryl-2,6-dihydroxy-4-keto-3,3-dimethyl-cyclohexa-1,5-dien-1-yl)methyl]-6-propyl-pyran-2,4-quinone Formula: C21H26O7 MolecularWeight: 390.42694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)C(C(=O)O1)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O

Isomeric SMILES

CCCC1=CC(=O)C(C(=O)O1)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O

InChI

InChI=1S/C21H26O7/c1-5-7-11-9-15(23)12(20(27)28-11)10-13-17(24)16(14(22)8-6-2)19(26)21(3,4)18(13)25/h9,12,24-25H,5-8,10H2,1-4H3