2-(6-chloranyl-2,4-diphenyl-quinolin-1-ium-3-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-chloranyl-2,4-diphenyl-quinolin-1-ium-3-yl)sulfanylethanoic acid Openeye Name: 2-(6-chloro-2,4-diphenyl-quinolin-1-ium-3-yl)sulfanylacetic acid CAS Name: 2-[(6-chloro-2,4-diphenyl-3-quinolin-1-iumyl)thio]acetic acid IUPAC Name: 2-(6-chloro-2,4-diphenylquinolin-1-ium-3-yl)sulfanylacetic acid Traditional Name: 2-[(6-chloro-2,4-diphenyl-quinolin-1-ium-3-yl)thio]acetic acid Formula: C23H17ClNO2S+ MolecularWeight: 406.90458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=[NH+]C(=C2SCC(=O)O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=[NH+]C(=C2SCC(=O)O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H16ClNO2S/c24-17-11-12-19-18(13-17)21(15-7-3-1-4-8-15)23(28-14-20(26)27)22(25-19)16-9-5-2-6-10-16/h1-13H,14H2,(H,26,27)/p+1