5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; 3-oxidanylidenebutanoate

Systemtic Name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; 3-oxidanylidenebutanoate Openeye Name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; 3-oxobutanoate CAS Name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; 3-oxobutanoate IUPAC Name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; 3-oxobutanoate Traditional Name: acetoacetate; 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole Formula: C23H35O8- MolecularWeight: 439.5192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2.CC(=O)CC(=O)[O-]

Isomeric SMILES

CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2.CC(=O)CC(=O)[O-]

InChI

InChI=1S/C19H30O5.C4H6O3/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2;1-3(5)2-4(6)7/h12-13H,3-11,14-15H2,1-2H3;2H2,1H3,(H,6,7)/p-1