(1R,2S)-2-isocyanato-3-methyl-1-phenyl-butan-1-ol

Systemtic Name: (1R,2S)-2-isocyanato-3-methyl-1-phenyl-butan-1-ol Openeye Name: (1R,2S)-2-isocyanato-3-methyl-1-phenyl-butan-1-ol CAS Name: (1R,2S)-2-isocyanato-3-methyl-1-phenyl-1-butanol IUPAC Name: (1R,2S)-2-isocyanato-3-methyl-1-phenylbutan-1-ol Traditional Name: (1R,2S)-2-isocyanato-3-methyl-1-phenyl-butan-1-ol Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=CC=C1)O)N=C=O

Isomeric SMILES

CC(C)[C@@H]([C@@H](C1=CC=CC=C1)O)N=C=O

InChI

InChI=1S/C12H15NO2/c1-9(2)11(13-8-14)12(15)10-6-4-3-5-7-10/h3-7,9,11-12,15H,1-2H3/t11-,12+/m0/s1