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

Systemtic Name: 3-[1-(dioxidanyl)-2-methyl-butyl]-5-oxidanyl-adamantane-1-carboxylic acid Openeye Name: 3-(1-hydroperoxy-2-methyl-butyl)-5-hydroxy-adamantane-1-carboxylic acid CAS Name: 3-(1-hydroperoxy-2-methylbutyl)-5-hydroxy-1-adamantanecarboxylic acid IUPAC Name: 3-(1-hydroperoxy-2-methylbutyl)-5-hydroxyadamantane-1-carboxylic acid Traditional Name: 3-(1-hydroperoxy-2-methyl-butyl)-5-hydroxy-adamantane-1-carboxylic acid Formula: C16H26O5 MolecularWeight: 298.37464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O5/c1-3-10(2)12(21-20)14-4-11-5-15(7-14,13(17)18)9-16(19,6-11)8-14/h10-12,19-20H,3-9H2,1-2H3,(H,17,18)