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

Systemtic Name: O4-[4-(4-nitrophenyl)phenyl] O1-tridecyl benzene-1,4-dicarboxylate Openeye Name: O4-[4-(4-nitrophenyl)phenyl] O1-tridecyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[4-(4-nitrophenyl)phenyl] ester O1-tridecyl ester IUPAC Name: 4-O-[4-(4-nitrophenyl)phenyl] 1-O-tridecyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[4-(4-nitrophenyl)phenyl] ester O1-tridecyl ester Formula: C33H39NO6 MolecularWeight: 545.66586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-25-39-32(35)28-13-15-29(16-14-28)33(36)40-31-23-19-27(20-24-31)26-17-21-30(22-18-26)34(37)38/h13-24H,2-12,25H2,1H3