1-(1-iodanyl-2-isocyanato-propan-2-yl)-3-prop-1-en-2-yl-benzene

Systemtic Name: 1-(1-iodanyl-2-isocyanato-propan-2-yl)-3-prop-1-en-2-yl-benzene Openeye Name: 1-(2-iodo-1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene CAS Name: 1-(1-iodo-2-isocyanatopropan-2-yl)-3-(1-methylethenyl)benzene IUPAC Name: 1-(1-iodo-2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene Traditional Name: 1-(2-iodo-1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene Formula: C13H14INO MolecularWeight: 327.16083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14INO/c1-10(2)11-5-4-6-12(7-11)13(3,8-14)15-9-16/h4-7H,1,8H2,2-3H3