1-[(2S)-butan-2-yl]-4-isocyanato-benzene

Systemtic Name: 1-[(2S)-butan-2-yl]-4-isocyanato-benzene Openeye Name: 1-isocyanato-4-[(1S)-1-methylpropyl]benzene CAS Name: 1-[(2S)-butan-2-yl]-4-isocyanatobenzene IUPAC Name: 1-[(2S)-butan-2-yl]-4-isocyanatobenzene Traditional Name: 1-isocyanato-4-[(1S)-1-methylpropyl]benzene Formula: C11H13NO MolecularWeight: 175.22702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=C=O

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO/c1-3-9(2)10-4-6-11(7-5-10)12-8-13/h4-7,9H,3H2,1-2H3/t9-/m0/s1