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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)CN=C=O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)CN=C=O

InChI

InChI=1S/C12H15NO/c1-3-11-4-6-12(7-5-11)10(2)8-13-9-14/h4-7,10H,3,8H2,1-2H3/t10-/m1/s1