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(3R,5R)-3-cyano-5-methyl-octanoic acid

(3R,5R)-3-cyano-5-methyl-octanoic acid

Systemtic Name:(3R,5R)-3-cyano-5-methyl-octanoic acid
Openeye Name:(3R,5R)-3-cyano-5-methyl-octanoic acid
CAS Name:(3R,5R)-3-cyano-5-methyloctanoic acid
IUPAC Name:(3R,5R)-3-cyano-5-methyloctanoic acid
Traditional Name:(3R,5R)-3-cyano-5-methyl-caprylic acid
Formula: C10H17NO2
MolecularWeight: 183.24748
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(CC(=O)O)C#N


Isomeric SMILES

CCC[C@@H](C)C[C@H](CC(=O)O)C#N


InChI

InChI=1S/C10H17NO2/c1-3-4-8(2)5-9(7-11)6-10(12)13/h8-9H,3-6H2,1-2H3,(H,12,13)/t8-,9-/m1/s1


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