N,N'-bis(6-chloranyl-2-methoxy-acridin-9-yl)ethane-1,2-diamine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N,N'-bis(6-chloranyl-2-methoxy-acridin-9-yl)ethane-1,2-diamine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N,N'-bis(6-chloro-2-methoxy-acridin-9-yl)ethane-1,2-diamine; 2,2,2-trifluoroacetic acid CAS Name: N,N'-bis(6-chloro-2-methoxy-9-acridinyl)ethane-1,2-diamine; 2,2,2-trifluoroacetic acid IUPAC Name: N,N'-bis(6-chloro-2-methoxyacridin-9-yl)ethane-1,2-diamine; 2,2,2-trifluoroacetic acid Traditional Name: (6-chloro-2-methoxy-acridin-9-yl)-[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]ethyl]amine; 2,2,2-trifluoroacetic acid Formula: C34H26Cl2F6N4O6 MolecularWeight: 771.489859

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C30H24Cl2N4O2.2C2HF3O2/c1-37-19-5-9-25-23(15-19)29(21-7-3-17(31)13-27(21)35-25)33-11-12-34-30-22-8-4-18(32)14-28(22)36-26-10-6-20(38-2)16-24(26)30;2*3-2(4,5)1(6)7/h3-10,13-16H,11-12H2,1-2H3,(H,33,35)(H,34,36);2*(H,6,7)