[azanyl-(2,3,4-triaminocarbonyl-5-carboxy-perylen-1-yl)methylidene]-bis(4-chlorophenyl)azanium

Systemtic Name: [azanyl-(2,3,4-triaminocarbonyl-5-carboxy-perylen-1-yl)methylidene]-bis(4-chlorophenyl)azanium Openeye Name: [amino-(2,3,4-tricarbamoyl-5-carboxy-perylen-1-yl)methylene]-bis(4-chlorophenyl)ammonium CAS Name: [amino-(2,3,4-tricarbamoyl-5-carboxy-1-perylenyl)methylidene]-bis(4-chlorophenyl)ammonium IUPAC Name: [amino-(2,3,4-tricarbamoyl-5-carboxyperylen-1-yl)methylidene]-bis(4-chlorophenyl)azanium Traditional Name: [amino-(2,3,4-tricarbamoyl-5-carboxy-perylen-1-yl)methylene]-bis(4-chlorophenyl)ammonium Formula: C37H24Cl2N5O5+ MolecularWeight: 689.52296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=CC(=C(C5=C(C(=C(C(=C45)C3=CC=C2)C(=[N+](C6=CC=C(C=C6)Cl)C7=CC=C(C=C7)Cl)N)C(=O)N)C(=O)N)C(=O)N)C(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C4=CC(=C(C5=C(C(=C(C(=C45)C3=CC=C2)C(=[N+](C6=CC=C(C=C6)Cl)C7=CC=C(C=C7)Cl)N)C(=O)N)C(=O)N)C(=O)N)C(=O)O

InChI

InChI=1S/C37H23Cl2N5O5/c38-17-7-11-19(12-8-17)44(20-13-9-18(39)10-14-20)33(40)30-26-22-6-2-4-16-3-1-5-21(25(16)22)23-15-24(37(48)49)28(34(41)45)29(27(23)26)31(35(42)46)32(30)36(43)47/h1-15,40H,(H7,41,42,43,45,46,47,48,49)/p+1