5-(1,3-benzodioxol-5-ylmethylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 5-(1,3-benzodioxol-5-ylmethylene)-2-butyl-2-methyl-1,3-dioxane-4,6-dione CAS Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-butyl-2-methyl-5-piperonylidene-1,3-dioxane-4,6-quinone Formula: C17H18O6 MolecularWeight: 318.32122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OC(=O)C(=CC2=CC3=C(C=C2)OCO3)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=CC3=C(C=C2)OCO3)C(=O)O1)C

InChI

InChI=1S/C17H18O6/c1-3-4-7-17(2)22-15(18)12(16(19)23-17)8-11-5-6-13-14(9-11)21-10-20-13/h5-6,8-9H,3-4,7,10H2,1-2H3