3,4-bis[(4-nitrophenyl)methyl]phthalate

Systemtic Name: 3,4-bis[(4-nitrophenyl)methyl]phthalate Openeye Name: 3,4-bis[(4-nitrophenyl)methyl]phthalate CAS Name: 3,4-bis[(4-nitrophenyl)methyl]phthalate IUPAC Name: 3,4-bis[(4-nitrophenyl)methyl]phthalate Traditional Name: 3,4-bis(4-nitrobenzyl)phthalate Formula: C22H14N2O8-2 MolecularWeight: 434.35516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O8/c25-21(26)18-10-5-15(11-13-1-6-16(7-2-13)23(29)30)19(20(18)22(27)28)12-14-3-8-17(9-4-14)24(31)32/h1-10H,11-12H2,(H,25,26)(H,27,28)/p-2