3,5-dimethyl-4-(10-methyl-2-oxidanyl-acridin-10-ium-9-yl)carbonyloxy-benzoic acid bromide

Systemtic Name: 3,5-dimethyl-4-(10-methyl-2-oxidanyl-acridin-10-ium-9-yl)carbonyloxy-benzoic acid bromide Openeye Name: 4-(2-hydroxy-10-methyl-acridin-10-ium-9-carbonyl)oxy-3,5-dimethyl-benzoic acid bromide CAS Name: 4-[(2-hydroxy-10-methyl-9-acridin-10-iumyl)-oxomethoxy]-3,5-dimethylbenzoic acid bromide IUPAC Name: 4-(2-hydroxy-10-methylacridin-10-ium-9-carbonyl)oxy-3,5-dimethylbenzoic acid bromide Traditional Name: 4-(2-hydroxy-10-methyl-acridin-10-ium-9-carbonyl)oxy-3,5-dimethyl-benzoic acid bromide Formula: C24H20BrNO5 MolecularWeight: 482.3233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)O)C)C(=O)O.[Br-]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)O)C)C(=O)O.[Br-]

InChI

InChI=1S/C24H19NO5.BrH/c1-13-10-15(23(27)28)11-14(2)22(13)30-24(29)21-17-6-4-5-7-19(17)25(3)20-9-8-16(26)12-18(20)21;/h4-12H,1-3H3,(H-,26,27,28,29);1H