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

Systemtic Name: O1-heptyl O4-[4-(4-nitrophenyl)phenyl] benzene-1,4-dicarboxylate Openeye Name: O1-heptyl O4-[4-(4-nitrophenyl)phenyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-heptyl ester O4-[4-(4-nitrophenyl)phenyl] ester IUPAC Name: 1-O-heptyl 4-O-[4-(4-nitrophenyl)phenyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-heptyl ester O4-[4-(4-nitrophenyl)phenyl] ester Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO6/c1-2-3-4-5-6-19-33-26(29)22-7-9-23(10-8-22)27(30)34-25-17-13-21(14-18-25)20-11-15-24(16-12-20)28(31)32/h7-18H,2-6,19H2,1H3