dimethyl 3,6-bis(3-nitrophenyl)pyrene-1,8-dicarboxylate

Systemtic Name: dimethyl 3,6-bis(3-nitrophenyl)pyrene-1,8-dicarboxylate Openeye Name: dimethyl 3,6-bis(3-nitrophenyl)pyrene-1,8-dicarboxylate CAS Name: 3,6-bis(3-nitrophenyl)pyrene-1,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,6-bis(3-nitrophenyl)pyrene-1,8-dicarboxylate Traditional Name: 3,6-bis(3-nitrophenyl)pyrene-1,8-dicarboxylic acid dimethyl ester Formula: C32H20N2O8 MolecularWeight: 560.5098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C(=C1)C5=CC(=CC=C5)[N+](=O)[O-])C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C(=C1)C5=CC(=CC=C5)[N+](=O)[O-])C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C32H20N2O8/c1-41-31(35)27-15-25(17-5-3-7-19(13-17)33(37)38)21-9-10-22-26(18-6-4-8-20(14-18)34(39)40)16-28(32(36)42-2)24-12-11-23(27)29(21)30(22)24/h3-16H,1-2H3