dimethyl 2-nitro-5-octadecoxy-benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 2-nitro-5-octadecoxy-benzene-1,3-dicarboxylate Openeye Name: dimethyl 2-nitro-5-octadecoxy-benzene-1,3-dicarboxylate CAS Name: 2-nitro-5-octadecoxybenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-nitro-5-octadecoxybenzene-1,3-dicarboxylate Traditional Name: 2-nitro-5-stearyloxy-benzene-1,3-dicarboxylic acid dimethyl ester Formula: C28H45NO7 MolecularWeight: 507.6594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45NO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36-23-21-24(27(30)34-2)26(29(32)33)25(22-23)28(31)35-3/h21-22H,4-20H2,1-3H3