methyl 3-[1-(dioxidanyl)-2-methyl-butyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[1-(dioxidanyl)-2-methyl-butyl]adamantane-1-carboxylate Openeye Name: methyl 3-(1-hydroperoxy-2-methyl-butyl)adamantane-1-carboxylate CAS Name: 3-(1-hydroperoxy-2-methylbutyl)-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-hydroperoxy-2-methylbutyl)adamantane-1-carboxylate Traditional Name: 3-(1-hydroperoxy-2-methyl-butyl)adamantane-1-carboxylic acid methyl ester Formula: C17H28O4 MolecularWeight: 296.40182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C12CC3CC(C1)CC(C3)(C2)C(=O)OC)OO

Isomeric SMILES

CCC(C)C(C12CC3CC(C1)CC(C3)(C2)C(=O)OC)OO

InChI

InChI=1S/C17H28O4/c1-4-11(2)14(21-19)16-6-12-5-13(7-16)9-17(8-12,10-16)15(18)20-3/h11-14,19H,4-10H2,1-3H3