2-chloranyl-3,5-dimethyl-4-[10-(3-sulfopropyl)acridin-10-ium-9-yl]carbonyloxy-benzenesulfonic acid

Systemtic Name: 2-chloranyl-3,5-dimethyl-4-[10-(3-sulfopropyl)acridin-10-ium-9-yl]carbonyloxy-benzenesulfonic acid Openeye Name: 2-chloro-3,5-dimethyl-4-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]oxy-benzenesulfonic acid CAS Name: 2-chloro-3,5-dimethyl-4-[oxo-[10-(3-sulfopropyl)-9-acridin-10-iumyl]methoxy]benzenesulfonic acid IUPAC Name: 2-chloro-3,5-dimethyl-4-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]oxybenzenesulfonic acid Traditional Name: 2-chloro-3,5-dimethyl-4-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]oxy-besylic acid Formula: C25H23ClNO8S2+ MolecularWeight: 565.03502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)O)C)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)O)C)Cl)S(=O)(=O)O

InChI

InChI=1S/C25H22ClNO8S2/c1-15-14-21(37(32,33)34)23(26)16(2)24(15)35-25(28)22-17-8-3-5-10-19(17)27(12-7-13-36(29,30)31)20-11-6-4-9-18(20)22/h3-6,8-11,14H,7,12-13H2,1-2H3,(H-,29,30,31,32,33,34)/p+1