2-(5-methyl-2-nitro-cyclohexa-1,5-dien-1-yl)-1-nitro-4-octadecoxy-benzene

Systemtic Name: 2-(5-methyl-2-nitro-cyclohexa-1,5-dien-1-yl)-1-nitro-4-octadecoxy-benzene Openeye Name: 2-(5-methyl-2-nitro-cyclohexa-1,5-dien-1-yl)-1-nitro-4-octadecoxy-benzene CAS Name: 2-(5-methyl-2-nitro-1-cyclohexa-1,5-dienyl)-1-nitro-4-octadecoxybenzene IUPAC Name: 2-(5-methyl-2-nitrocyclohexa-1,5-dien-1-yl)-1-nitro-4-octadecoxybenzene Traditional Name: 2-(5-methyl-2-nitro-cyclohexa-1,5-dien-1-yl)-1-nitro-4-stearyloxy-benzene Formula: C31H48N2O5 MolecularWeight: 528.72322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C2=C(CCC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C2=C(CCC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C31H48N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-38-27-20-22-31(33(36)37)29(25-27)28-24-26(2)19-21-30(28)32(34)35/h20,22,24-25H,3-19,21,23H2,1-2H3