(8-iodanyl-1-nitro-octan-2-yl)benzene

Systemtic Name: (8-iodanyl-1-nitro-octan-2-yl)benzene Openeye Name: [7-iodo-1-(nitromethyl)heptyl]benzene CAS Name: (8-iodo-1-nitrooctan-2-yl)benzene IUPAC Name: (8-iodo-1-nitrooctan-2-yl)benzene Traditional Name: [7-iodo-1-(nitromethyl)heptyl]benzene Formula: C14H20INO2 MolecularWeight: 361.21857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCCCCI)C[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CCCCCCI)C[N+](=O)[O-]

InChI

InChI=1S/C14H20INO2/c15-11-7-2-1-4-10-14(12-16(17)18)13-8-5-3-6-9-13/h3,5-6,8-9,14H,1-2,4,7,10-12H2