methyl 3-[1-(dioxidanyl)-2-methyl-butyl]-5-oxidanyl-adamantane-1-carboxylate

Systemtic Name: methyl 3-[1-(dioxidanyl)-2-methyl-butyl]-5-oxidanyl-adamantane-1-carboxylate Openeye Name: methyl 3-(1-hydroperoxy-2-methyl-butyl)-5-hydroxy-adamantane-1-carboxylate CAS Name: 3-(1-hydroperoxy-2-methylbutyl)-5-hydroxy-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-hydroperoxy-2-methylbutyl)-5-hydroxyadamantane-1-carboxylate Traditional Name: 3-(1-hydroperoxy-2-methyl-butyl)-5-hydroxy-adamantane-1-carboxylic acid methyl ester Formula: C17H28O5 MolecularWeight: 312.40122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O5/c1-4-11(2)13(22-20)15-5-12-6-16(8-15,14(18)21-3)10-17(19,7-12)9-15/h11-13,19-20H,4-10H2,1-3H3