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

Systemtic Name: 1-[(2S)-1-isocyanatopropan-2-yl]-4-propan-2-yl-benzene Openeye Name: 1-[(1S)-2-isocyanato-1-methyl-ethyl]-4-isopropyl-benzene CAS Name: 1-[(2S)-1-isocyanatopropan-2-yl]-4-propan-2-ylbenzene IUPAC Name: 1-[(2S)-1-isocyanatopropan-2-yl]-4-propan-2-ylbenzene Traditional Name: 1-[(1S)-2-isocyanato-1-methyl-ethyl]-4-isopropyl-benzene Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-10(2)12-4-6-13(7-5-12)11(3)8-14-9-15/h4-7,10-11H,8H2,1-3H3/t11-/m1/s1