aniline; 1-dodecyl-2-nitro-benzene; iron; nitrobenzene; hydrochloride

Systemtic Name: aniline; 1-dodecyl-2-nitro-benzene; iron; nitrobenzene; hydrochloride Openeye Name: aniline; 1-dodecyl-2-nitro-benzene; iron; nitrobenzene; hydrochloride CAS Name: aniline; 1-dodecyl-2-nitrobenzene; iron; nitrobenzene; hydrochloride IUPAC Name: aniline; 1-dodecyl-2-nitrobenzene; iron; nitrobenzene; hydrochloride Traditional Name: iron; 1-lauryl-2-nitro-benzene; nitrobenzene; phenylamine; hydrochloride Formula: C30H42ClFeN3O4 MolecularWeight: 599.97018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1[N+](=O)[O-].C1=CC=C(C=C1)N.C1=CC=C(C=C1)[N+](=O)[O-].Cl.[Fe]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1[N+](=O)[O-].C1=CC=C(C=C1)N.C1=CC=C(C=C1)[N+](=O)[O-].Cl.[Fe]

InChI

InChI=1S/C18H29NO2.C6H5NO2.C6H7N.ClH.Fe/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19(20)21;8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;;/h12-13,15-16H,2-11,14H2,1H3;1-5H;1-5H,7H2;1H;