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

Systemtic Name: 4-[[9-[10-[(4-carboxyphenyl)methyl]acridin-10-ium-9-yl]acridin-10-ium-10-yl]methyl]benzoic acid Openeye Name: 4-[[9-[10-[(4-carboxyphenyl)methyl]acridin-10-ium-9-yl]acridin-10-ium-10-yl]methyl]benzoic acid CAS Name: 4-[[9-[10-[(4-carboxyphenyl)methyl]-9-acridin-10-iumyl]-10-acridin-10-iumyl]methyl]benzoic acid IUPAC Name: 4-[[9-[10-[(4-carboxyphenyl)methyl]acridin-10-ium-9-yl]acridin-10-ium-10-yl]methyl]benzoic acid Traditional Name: 4-[[9-[10-(4-carboxybenzyl)acridin-10-ium-9-yl]acridin-10-ium-10-yl]methyl]benzoic acid Formula: C42H30N2O4+2 MolecularWeight: 626.6986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H28N2O4/c45-41(46)29-21-17-27(18-22-29)25-43-35-13-5-1-9-31(35)39(32-10-2-6-14-36(32)43)40-33-11-3-7-15-37(33)44(38-16-8-4-12-34(38)40)26-28-19-23-30(24-20-28)42(47)48/h1-24H,25-26H2/p+2