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

Systemtic Name: 1-[(2S)-1-isocyanatopropan-2-yl]-4-methyl-benzene Openeye Name: 1-[(1S)-2-isocyanato-1-methyl-ethyl]-4-methyl-benzene CAS Name: 1-[(2S)-1-isocyanatopropan-2-yl]-4-methylbenzene IUPAC Name: 1-[(2S)-1-isocyanatopropan-2-yl]-4-methylbenzene Traditional Name: 1-[(1S)-2-isocyanato-1-methyl-ethyl]-4-methyl-benzene Formula: C11H13NO MolecularWeight: 175.22702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO/c1-9-3-5-11(6-4-9)10(2)7-12-8-13/h3-6,10H,7H2,1-2H3/t10-/m1/s1