1-nitro-2-(2-nitro-6-octyl-phenoxy)-3-octyl-benzene

Systemtic Name: 1-nitro-2-(2-nitro-6-octyl-phenoxy)-3-octyl-benzene Openeye Name: 1-nitro-2-(2-nitro-6-octyl-phenoxy)-3-octyl-benzene CAS Name: 1-nitro-2-(2-nitro-6-octylphenoxy)-3-octylbenzene IUPAC Name: 1-nitro-2-(2-nitro-6-octylphenoxy)-3-octylbenzene Traditional Name: 1-nitro-2-(2-nitro-6-octyl-phenoxy)-3-octyl-benzene Formula: C28H40N2O5 MolecularWeight: 484.6276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC=C1)[N+](=O)[O-])OC2=C(C=CC=C2[N+](=O)[O-])CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=CC=C1)[N+](=O)[O-])OC2=C(C=CC=C2[N+](=O)[O-])CCCCCCCC

InChI

InChI=1S/C28H40N2O5/c1-3-5-7-9-11-13-17-23-19-15-21-25(29(31)32)27(23)35-28-24(18-14-12-10-8-6-4-2)20-16-22-26(28)30(33)34/h15-16,19-22H,3-14,17-18H2,1-2H3