5-ethyl-10-[12-[5-ethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-5-ium-10-yl]dodecyl]benzo[g]pteridin-5-ium-2,4-dione diperchlorate

Systemtic Name: 5-ethyl-10-[12-[5-ethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-5-ium-10-yl]dodecyl]benzo[g]pteridin-5-ium-2,4-dione diperchlorate Openeye Name: 5-ethyl-10-[12-(5-ethyl-2,4-dioxo-benzo[g]pteridin-5-ium-10-yl)dodecyl]benzo[g]pteridin-5-ium-2,4-dione diperchlorate CAS Name: 5-ethyl-10-[12-(5-ethyl-2,4-dioxo-10-benzo[g]pteridin-5-iumyl)dodecyl]benzo[g]pteridin-5-ium-2,4-dione diperchlorate IUPAC Name: 5-ethyl-10-[12-(5-ethyl-2,4-dioxobenzo[g]pteridin-5-ium-10-yl)dodecyl]benzo[g]pteridin-5-ium-2,4-dione diperchlorate Traditional Name: 5-ethyl-10-[12-(5-ethyl-2,4-diketo-benzo[g]pteridin-5-ium-10-yl)dodecyl]benzo[g]pteridin-5-ium-2,4-quinone diperchlorate Formula: C36H44Cl2N8O12 MolecularWeight: 851.68696

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(=O)NC(=O)N=C2N(C3=CC=CC=C31)CCCCCCCCCCCCN4C5=CC=CC=C5[N+](=C6C4=NC(=O)NC6=O)CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C2C(=O)NC(=O)N=C2N(C3=CC=CC=C31)CCCCCCCCCCCCN4C5=CC=CC=C5[N+](=C6C4=NC(=O)NC6=O)CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C36H42N8O4.2ClHO4/c1-3-41-25-19-13-15-21-27(25)43(31-29(41)33(45)39-35(47)37-31)23-17-11-9-7-5-6-8-10-12-18-24-44-28-22-16-14-20-26(28)42(4-2)30-32(44)38-36(48)40-34(30)46;2*2-1(3,4)5/h13-16,19-22H,3-12,17-18,23-24H2,1-2H3;2*(H,2,3,4,5)