(2S,3S)-3-oxidanyl-2,3-bis(2,4,6-trimethylphenyl)propanenitrile

Systemtic Name: (2S,3S)-3-oxidanyl-2,3-bis(2,4,6-trimethylphenyl)propanenitrile Openeye Name: (2S,3S)-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)propanenitrile CAS Name: (2S,3S)-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)propanenitrile IUPAC Name: (2S,3S)-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)propanenitrile Traditional Name: (2S,3S)-3-hydroxy-2,3-dimesityl-propionitrile Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C#N)C(C2=C(C=C(C=C2C)C)C)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@@H](C#N)[C@@H](C2=C(C=C(C=C2C)C)C)O)C

InChI

InChI=1S/C21H25NO/c1-12-7-14(3)19(15(4)8-12)18(11-22)21(23)20-16(5)9-13(2)10-17(20)6/h7-10,18,21,23H,1-6H3/t18-,21+/m1/s1