3-(3-methyl-2-oxidanyl-pentan-2-yl)adamantane-1-carboxylic acid

Systemtic Name: 3-(3-methyl-2-oxidanyl-pentan-2-yl)adamantane-1-carboxylic acid Openeye Name: 3-(1-hydroxy-1,2-dimethyl-butyl)adamantane-1-carboxylic acid CAS Name: 3-(2-hydroxy-3-methylpentan-2-yl)-1-adamantanecarboxylic acid IUPAC Name: 3-(2-hydroxy-3-methylpentan-2-yl)adamantane-1-carboxylic acid Traditional Name: 3-(1-hydroxy-1,2-dimethyl-butyl)adamantane-1-carboxylic acid Formula: C17H28O3 MolecularWeight: 280.40242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O3/c1-4-11(2)15(3,20)17-8-12-5-13(9-17)7-16(6-12,10-17)14(18)19/h11-13,20H,4-10H2,1-3H3,(H,18,19)