3-(2-oxidanyloctan-2-yl)adamantane-1-carboxylic acid

Systemtic Name: 3-(2-oxidanyloctan-2-yl)adamantane-1-carboxylic acid Openeye Name: 3-(1-hydroxy-1-methyl-heptyl)adamantane-1-carboxylic acid CAS Name: 3-(2-hydroxyoctan-2-yl)-1-adamantanecarboxylic acid IUPAC Name: 3-(2-hydroxyoctan-2-yl)adamantane-1-carboxylic acid Traditional Name: 3-(1-hydroxy-1-methyl-heptyl)adamantane-1-carboxylic acid Formula: C19H32O3 MolecularWeight: 308.45558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32O3/c1-3-4-5-6-7-17(2,22)19-11-14-8-15(12-19)10-18(9-14,13-19)16(20)21/h14-15,22H,3-13H2,1-2H3,(H,20,21)