diethyl 2-[(E)-3-(dioxidanyl)-3-methyl-but-1-enyl]cyclopentane-1,1-dicarboxylate

Systemtic Name: diethyl 2-[(E)-3-(dioxidanyl)-3-methyl-but-1-enyl]cyclopentane-1,1-dicarboxylate Openeye Name: diethyl 2-[(E)-3-hydroperoxy-3-methyl-but-1-enyl]cyclopentane-1,1-dicarboxylate CAS Name: 2-[(E)-3-hydroperoxy-3-methylbut-1-enyl]cyclopentane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(E)-3-hydroperoxy-3-methylbut-1-enyl]cyclopentane-1,1-dicarboxylate Traditional Name: 2-[(E)-3-hydroperoxy-3-methyl-but-1-enyl]cyclopentane-1,1-dicarboxylic acid diethyl ester Formula: C16H26O6 MolecularWeight: 314.37404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1C=CC(C)(C)OO)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCCC1/C=C/C(C)(C)OO)C(=O)OCC

InChI

InChI=1S/C16H26O6/c1-5-20-13(17)16(14(18)21-6-2)10-7-8-12(16)9-11-15(3,4)22-19/h9,11-12,19H,5-8,10H2,1-4H3/b11-9+