[7-[(3,5-dimethyl-2-oxidanylidene-3H-furan-4-yl)carbonylperoxymethyl]-4-oxidanidyl-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 2-methylbutanoate

Systemtic Name: [7-[(3,5-dimethyl-2-oxidanylidene-3H-furan-4-yl)carbonylperoxymethyl]-4-oxidanidyl-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 2-methylbutanoate Openeye Name: [7-[(3,5-dimethyl-2-oxo-3H-furan-4-carbonyl)peroxymethyl]-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [7-[[(3,5-dimethyl-2-oxo-3H-furan-4-yl)-oxomethyl]dioxymethyl]-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] ester IUPAC Name: [7-[(3,5-dimethyl-2-oxo-3H-furan-4-carbonyl)peroxymethyl]-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [7-[(2-keto-3,5-dimethyl-3H-furan-4-carbonyl)peroxymethyl]-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] ester Formula: C20H27NO8 MolecularWeight: 409.43028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1CC[N+]2(C1C(=CC2)COOC(=O)C3=C(OC(=O)C3C)C)[O-]

Isomeric SMILES

CCC(C)C(=O)OC1CC[N+]2(C1C(=CC2)COOC(=O)C3=C(OC(=O)C3C)C)[O-]

InChI

InChI=1S/C20H27NO8/c1-5-11(2)18(22)28-15-7-9-21(25)8-6-14(17(15)21)10-26-29-20(24)16-12(3)19(23)27-13(16)4/h6,11-12,15,17H,5,7-10H2,1-4H3