4-[[9-[10-[(4-carboxy-2-fluoranyl-phenyl)methyl]acridin-10-ium-9-yl]acridin-10-ium-10-yl]methyl]-3-fluoranyl-benzoic acid

Systemtic Name: 4-[[9-[10-[(4-carboxy-2-fluoranyl-phenyl)methyl]acridin-10-ium-9-yl]acridin-10-ium-10-yl]methyl]-3-fluoranyl-benzoic acid Openeye Name: 4-[[9-[10-[(4-carboxy-2-fluoro-phenyl)methyl]acridin-10-ium-9-yl]acridin-10-ium-10-yl]methyl]-3-fluoro-benzoic acid CAS Name: 4-[[9-[10-[(4-carboxy-2-fluorophenyl)methyl]-9-acridin-10-iumyl]-10-acridin-10-iumyl]methyl]-3-fluorobenzoic acid IUPAC Name: 4-[[9-[10-[(4-carboxy-2-fluorophenyl)methyl]acridin-10-ium-9-yl]acridin-10-ium-10-yl]methyl]-3-fluorobenzoic acid Traditional Name: 4-[[9-[10-(4-carboxy-2-fluoro-benzyl)acridin-10-ium-9-yl]acridin-10-ium-10-yl]methyl]-3-fluoro-benzoic acid Formula: C42H28F2N2O4+2 MolecularWeight: 662.679526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H26F2N2O4/c43-33-21-25(41(47)48)17-19-27(33)23-45-35-13-5-1-9-29(35)39(30-10-2-6-14-36(30)45)40-31-11-3-7-15-37(31)46(38-16-8-4-12-32(38)40)24-28-20-18-26(42(49)50)22-34(28)44/h1-22H,23-24H2/p+2