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

Systemtic Name: 6-chloranyl-2,4-dimethyl-3-[10-(3-sulfopropyl)acridin-10-ium-9-yl]carbonyloxy-benzenesulfonic acid Openeye Name: 6-chloro-2,4-dimethyl-3-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]oxy-benzenesulfonic acid CAS Name: 6-chloro-2,4-dimethyl-3-[oxo-[10-(3-sulfopropyl)-9-acridin-10-iumyl]methoxy]benzenesulfonic acid IUPAC Name: 6-chloro-2,4-dimethyl-3-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]oxybenzenesulfonic acid Traditional Name: 6-chloro-2,4-dimethyl-3-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]oxy-besylic acid Formula: C25H23ClNO8S2+ MolecularWeight: 565.03502

Click to see the large picture

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)S(=O)(=O)O)Cl

Isomeric SMILES

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

InChI

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