O1-hexyl O4-[4-(4-nitrophenyl)phenyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-hexyl O4-[4-(4-nitrophenyl)phenyl] benzene-1,4-dicarboxylate Openeye Name: O1-hexyl O4-[4-(4-nitrophenyl)phenyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-hexyl ester O4-[4-(4-nitrophenyl)phenyl] ester IUPAC Name: 1-O-hexyl 4-O-[4-(4-nitrophenyl)phenyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-hexyl ester O4-[4-(4-nitrophenyl)phenyl] ester Formula: C26H25NO6 MolecularWeight: 447.4798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H25NO6/c1-2-3-4-5-18-32-25(28)21-6-8-22(9-7-21)26(29)33-24-16-12-20(13-17-24)19-10-14-23(15-11-19)27(30)31/h6-17H,2-5,18H2,1H3