9,10-diaminocarbonyl-3,4-dicarbamimidoyl-1,6,7,12-tetrakis(chloranyl)perylene-2-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-3,4-dicarbamimidoyl-1,6,7,12-tetrakis(chloranyl)perylene-2-carboxylic acid Openeye Name: 3,4-dicarbamimidoyl-9,10-dicarbamoyl-1,6,7,12-tetrachloro-perylene-2-carboxylic acid CAS Name: 3,4-dicarbamimidoyl-9,10-dicarbamoyl-1,6,7,12-tetrachloro-2-perylenecarboxylic acid IUPAC Name: 3,4-dicarbamimidoyl-9,10-dicarbamoyl-1,6,7,12-tetrachloroperylene-2-carboxylic acid Traditional Name: 3,4-diamidino-9,10-dicarbamoyl-1,6,7,12-tetrachloro-perylene-2-carboxylic acid Formula: C25H14Cl4N6O4 MolecularWeight: 604.22846

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(C(=C(C3=C2C(=C1Cl)C4=C(C=C(C5=C4C3=C(C=C5C(=O)N)Cl)C(=O)N)Cl)Cl)C(=O)O)C(=N)N)C(=N)N

Isomeric SMILES

C1=C(C2=C(C(=C(C3=C2C(=C1Cl)C4=C(C=C(C5=C4C3=C(C=C5C(=O)N)Cl)C(=O)N)Cl)Cl)C(=O)O)C(=N)N)C(=N)N

InChI

InChI=1S/C25H14Cl4N6O4/c26-7-1-4(21(30)31)11-16-13(7)12-8(27)2-5(23(34)36)10-6(24(35)37)3-9(28)14(15(10)12)17(16)20(29)19(25(38)39)18(11)22(32)33/h1-3H,(H3,30,31)(H3,32,33)(H2,34,36)(H2,35,37)(H,38,39)