1-chloranyl-3-(2-isocyanatopropan-2-yl)-2-propan-2-yl-benzene

Systemtic Name: 1-chloranyl-3-(2-isocyanatopropan-2-yl)-2-propan-2-yl-benzene Openeye Name: 1-chloro-3-(1-isocyanato-1-methyl-ethyl)-2-isopropyl-benzene CAS Name: 1-chloro-3-(2-isocyanatopropan-2-yl)-2-propan-2-ylbenzene IUPAC Name: 1-chloro-3-(2-isocyanatopropan-2-yl)-2-propan-2-ylbenzene Traditional Name: 1-chloro-3-(1-isocyanato-1-methyl-ethyl)-2-isopropyl-benzene Formula: C13H16ClNO MolecularWeight: 237.72524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC=C1Cl)C(C)(C)N=C=O

Isomeric SMILES

CC(C)C1=C(C=CC=C1Cl)C(C)(C)N=C=O

InChI

InChI=1S/C13H16ClNO/c1-9(2)12-10(6-5-7-11(12)14)13(3,4)15-8-16/h5-7,9H,1-4H3