6-(2-methylbutanoyloxy)-3-oxidanyl-adamantane-1-carboxylic acid

Systemtic Name: 6-(2-methylbutanoyloxy)-3-oxidanyl-adamantane-1-carboxylic acid Openeye Name: 3-hydroxy-6-(2-methylbutanoyloxy)adamantane-1-carboxylic acid CAS Name: 3-hydroxy-6-(2-methyl-1-oxobutoxy)-1-adamantanecarboxylic acid IUPAC Name: 3-hydroxy-6-(2-methylbutanoyloxy)adamantane-1-carboxylic acid Traditional Name: 3-hydroxy-6-(2-methylbutanoyloxy)adamantane-1-carboxylic acid Formula: C16H24O5 MolecularWeight: 296.35876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1C2CC3(CC1CC(C2)(C3)O)C(=O)O

Isomeric SMILES

CCC(C)C(=O)OC1C2CC3(CC1CC(C2)(C3)O)C(=O)O

InChI

InChI=1S/C16H24O5/c1-3-9(2)13(17)21-12-10-4-15(14(18)19)5-11(12)7-16(20,6-10)8-15/h9-12,20H,3-8H2,1-2H3,(H,18,19)