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

Systemtic Name: 3-(3-methyl-2-oxidanyl-heptan-2-yl)adamantane-1-carboxylic acid Openeye Name: 3-(1-hydroxy-1,2-dimethyl-hexyl)adamantane-1-carboxylic acid CAS Name: 3-(2-hydroxy-3-methylheptan-2-yl)-1-adamantanecarboxylic acid IUPAC Name: 3-(2-hydroxy-3-methylheptan-2-yl)adamantane-1-carboxylic acid Traditional Name: 3-(1-hydroxy-1,2-dimethyl-hexyl)adamantane-1-carboxylic acid Formula: C19H32O3 MolecularWeight: 308.45558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32O3/c1-4-5-6-13(2)17(3,22)19-10-14-7-15(11-19)9-18(8-14,12-19)16(20)21/h13-15,22H,4-12H2,1-3H3,(H,20,21)