1-tert-butyl-4-[(2S)-1-isocyanatopropan-2-yl]benzene

Systemtic Name: 1-tert-butyl-4-[(2S)-1-isocyanatopropan-2-yl]benzene Openeye Name: 1-tert-butyl-4-[(1S)-2-isocyanato-1-methyl-ethyl]benzene CAS Name: 1-tert-butyl-4-[(2S)-1-isocyanatopropan-2-yl]benzene IUPAC Name: 1-tert-butyl-4-[(2S)-1-isocyanatopropan-2-yl]benzene Traditional Name: 1-tert-butyl-4-[(1S)-2-isocyanato-1-methyl-ethyl]benzene Formula: C14H19NO MolecularWeight: 217.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN=C=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO/c1-11(9-15-10-16)12-5-7-13(8-6-12)14(2,3)4/h5-8,11H,9H2,1-4H3/t11-/m1/s1