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

Systemtic Name: 3-(3-methyl-2-oxidanyl-hexan-2-yl)adamantane-1-carboxylic acid Openeye Name: 3-(1-hydroxy-1,2-dimethyl-pentyl)adamantane-1-carboxylic acid CAS Name: 3-(2-hydroxy-3-methylhexan-2-yl)-1-adamantanecarboxylic acid IUPAC Name: 3-(2-hydroxy-3-methylhexan-2-yl)adamantane-1-carboxylic acid Traditional Name: 3-(1-hydroxy-1,2-dimethyl-pentyl)adamantane-1-carboxylic acid Formula: C18H30O3 MolecularWeight: 294.429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O3/c1-4-5-12(2)16(3,21)18-9-13-6-14(10-18)8-17(7-13,11-18)15(19)20/h12-14,21H,4-11H2,1-3H3,(H,19,20)