3-butanoyl-2-[(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)methyl]-5-methoxy-naphthalene-1,4-dione

Systemtic Name: 3-butanoyl-2-[(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)methyl]-5-methoxy-naphthalene-1,4-dione Openeye Name: 3-butanoyl-2-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-5-methoxy-naphthalene-1,4-dione CAS Name: 2-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-5-methoxy-3-(1-oxobutyl)naphthalene-1,4-dione IUPAC Name: 3-butanoyl-2-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-5-methoxynaphthalene-1,4-dione Traditional Name: 3-butyryl-2-[(6-keto-2,2-dimethyl-1,3-dioxin-4-yl)methyl]-5-methoxy-1,4-naphthoquinone Formula: C22H22O7 MolecularWeight: 398.40588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=O)C2=C(C1=O)C(=CC=C2)OC)CC3=CC(=O)OC(O3)(C)C

Isomeric SMILES

CCCC(=O)C1=C(C(=O)C2=C(C1=O)C(=CC=C2)OC)CC3=CC(=O)OC(O3)(C)C

InChI

InChI=1S/C22H22O7/c1-5-7-15(23)18-14(10-12-11-17(24)29-22(2,3)28-12)20(25)13-8-6-9-16(27-4)19(13)21(18)26/h6,8-9,11H,5,7,10H2,1-4H3