iodanylbenzene; methylbenzene

Systemtic Name: iodanylbenzene; methylbenzene Openeye Name: iodobenzene; toluene CAS Name: iodobenzene; toluene IUPAC Name: iodobenzene; toluene Traditional Name: iodobenzene; toluene Formula: C13H13I MolecularWeight: 296.14679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC=C(C=C1)I

Isomeric SMILES

CC1=CC=CC=C1.C1=CC=C(C=C1)I

InChI

InChI=1S/C7H8.C6H5I/c1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2-6H,1H3;1-5H