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

Systemtic Name: 3-(2-oxidanylheptan-2-yl)adamantane-1-carboxylic acid Openeye Name: 3-(1-hydroxy-1-methyl-hexyl)adamantane-1-carboxylic acid CAS Name: 3-(2-hydroxyheptan-2-yl)-1-adamantanecarboxylic acid IUPAC Name: 3-(2-hydroxyheptan-2-yl)adamantane-1-carboxylic acid Traditional Name: 3-(1-hydroxy-1-methyl-hexyl)adamantane-1-carboxylic acid Formula: C18H30O3 MolecularWeight: 294.429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O3/c1-3-4-5-6-16(2,21)18-10-13-7-14(11-18)9-17(8-13,12-18)15(19)20/h13-14,21H,3-12H2,1-2H3,(H,19,20)