4-[(2S)-1-isocyanatopropan-2-yl]-1,2-dimethyl-benzene

Systemtic Name: 4-[(2S)-1-isocyanatopropan-2-yl]-1,2-dimethyl-benzene Openeye Name: 4-[(1S)-2-isocyanato-1-methyl-ethyl]-1,2-dimethyl-benzene CAS Name: 4-[(2S)-1-isocyanatopropan-2-yl]-1,2-dimethylbenzene IUPAC Name: 4-[(2S)-1-isocyanatopropan-2-yl]-1,2-dimethylbenzene Traditional Name: 4-[(1S)-2-isocyanato-1-methyl-ethyl]-1,2-dimethyl-benzene Formula: C12H15NO MolecularWeight: 189.2536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)CN=C=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)CN=C=O)C

InChI

InChI=1S/C12H15NO/c1-9-4-5-12(6-10(9)2)11(3)7-13-8-14/h4-6,11H,7H2,1-3H3/t11-/m1/s1