1,7-dinitroperylene-3,4,9,10-tetracarboxylic acid

Systemtic Name: 1,7-dinitroperylene-3,4,9,10-tetracarboxylic acid Openeye Name: 1,7-dinitroperylene-3,4,9,10-tetracarboxylic acid CAS Name: 1,7-dinitroperylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1,7-dinitroperylene-3,4,9,10-tetracarboxylic acid Traditional Name: 1,7-dinitroperylene-3,4,9,10-tetracarboxylic acid Formula: C24H10N2O12 MolecularWeight: 518.3424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC(=C3C2=C1C4=C(C=C(C5=C(C=CC3=C45)C(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=CC(=C3C2=C1C4=C(C=C(C5=C(C=CC3=C45)C(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C24H10N2O12/c27-21(28)9-3-1-7-17-13(25(35)36)5-12(24(33)34)16-10(22(29)30)4-2-8(20(16)17)18-14(26(37)38)6-11(23(31)32)15(9)19(7)18/h1-6H,(H,27,28)(H,29,30)(H,31,32)(H,33,34)