4-[[9-[10-[(4-carboxyphenyl)methyl]-2-(trifluoromethyl)acridin-10-ium-9-yl]-2-(trifluoromethyl)acridin-10-ium-10-yl]methyl]benzoic acid

Systemtic Name: 4-[[9-[10-[(4-carboxyphenyl)methyl]-2-(trifluoromethyl)acridin-10-ium-9-yl]-2-(trifluoromethyl)acridin-10-ium-10-yl]methyl]benzoic acid Openeye Name: 4-[[9-[10-[(4-carboxyphenyl)methyl]-2-(trifluoromethyl)acridin-10-ium-9-yl]-2-(trifluoromethyl)acridin-10-ium-10-yl]methyl]benzoic acid CAS Name: 4-[[9-[10-[(4-carboxyphenyl)methyl]-2-(trifluoromethyl)-9-acridin-10-iumyl]-2-(trifluoromethyl)-10-acridin-10-iumyl]methyl]benzoic acid IUPAC Name: 4-[[9-[10-[(4-carboxyphenyl)methyl]-2-(trifluoromethyl)acridin-10-ium-9-yl]-2-(trifluoromethyl)acridin-10-ium-10-yl]methyl]benzoic acid Traditional Name: 4-[[9-[10-(4-carboxybenzyl)-2-(trifluoromethyl)acridin-10-ium-9-yl]-2-(trifluoromethyl)acridin-10-ium-10-yl]methyl]benzoic acid Formula: C44H28F6N2O4+2 MolecularWeight: 762.694539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=C(C=CC3=[N+]2CC4=CC=C(C=C4)C(=O)O)C(F)(F)F)C5=C6C=C(C=CC6=[N+](C7=CC=CC=C75)CC8=CC=C(C=C8)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=C(C=CC3=[N+]2CC4=CC=C(C=C4)C(=O)O)C(F)(F)F)C5=C6C=C(C=CC6=[N+](C7=CC=CC=C75)CC8=CC=C(C=C8)C(=O)O)C(F)(F)F

InChI

InChI=1S/C44H26F6N2O4/c45-43(46,47)29-17-19-37-33(21-29)39(31-5-1-3-7-35(31)51(37)23-25-9-13-27(14-10-25)41(53)54)40-32-6-2-4-8-36(32)52(24-26-11-15-28(16-12-26)42(55)56)38-20-18-30(22-34(38)40)44(48,49)50/h1-22H,23-24H2/p+2