2-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-oxidanyl-butanedinitrile

Systemtic Name: 2-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-oxidanyl-butanedinitrile Openeye Name: 2-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-hydroxy-butanedinitrile CAS Name: 2-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-hydroxybutanedinitrile IUPAC Name: 2-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-hydroxybutanedinitrile Traditional Name: 2-[(3R,5S)-3,5-dimethyl-1-adamantyl]-3-hydroxy-succinonitrile Formula: C16H22N2O MolecularWeight: 258.35868

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(C#N)C(C#N)O)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(C#N)C(C#N)O)C

InChI

InChI=1S/C16H22N2O/c1-14-3-11-4-15(2,8-14)10-16(5-11,9-14)12(6-17)13(19)7-18/h11-13,19H,3-5,8-10H2,1-2H3/t11?,12?,13?,14-,15+,16?