(5R,7S)-3-pentan-3-yladamantane-1-carboxylic acid

Systemtic Name: (5R,7S)-3-pentan-3-yladamantane-1-carboxylic acid Openeye Name: (5R,7S)-3-(1-ethylpropyl)adamantane-1-carboxylic acid CAS Name: (5R,7S)-3-pentan-3-yl-1-adamantanecarboxylic acid IUPAC Name: (5R,7S)-3-pentan-3-yladamantane-1-carboxylic acid Traditional Name: (5R,7S)-3-(1-ethylpropyl)adamantane-1-carboxylic acid Formula: C16H26O2 MolecularWeight: 250.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)C(=O)O

InChI

InChI=1S/C16H26O2/c1-3-13(4-2)15-6-11-5-12(7-15)9-16(8-11,10-15)14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)/t11-,12+,15?,16?