3-(2-chloranyl-11-phenyl-6H-indeno[2,1-b]quinolin-5-ium-5-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2-chloranyl-11-phenyl-6H-indeno[2,1-b]quinolin-5-ium-5-yl)propane-1-sulfonic acid Openeye Name: 3-(2-chloro-11-phenyl-6H-indeno[2,1-b]quinolin-5-ium-5-yl)propane-1-sulfonic acid CAS Name: 3-(2-chloro-11-phenyl-6H-indeno[2,1-b]quinolin-5-ium-5-yl)-1-propanesulfonic acid IUPAC Name: 3-(2-chloro-11-phenyl-6H-indeno[2,1-b]quinolin-5-ium-5-yl)propane-1-sulfonic acid Traditional Name: 3-(2-chloro-11-phenyl-6H-indeno[2,1-b]quinolin-5-ium-5-yl)propane-1-sulfonic acid Formula: C25H21ClNO3S+ MolecularWeight: 450.95714

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C1[N+](=C4C=CC(=CC4=C3C5=CC=CC=C5)Cl)CCCS(=O)(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C3=C1[N+](=C4C=CC(=CC4=C3C5=CC=CC=C5)Cl)CCCS(=O)(=O)O

InChI

InChI=1S/C25H20ClNO3S/c26-19-11-12-22-21(16-19)24(17-7-2-1-3-8-17)25-20-10-5-4-9-18(20)15-23(25)27(22)13-6-14-31(28,29)30/h1-5,7-12,16H,6,13-15H2/p+1