2-(4-chloranyl-3-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-1,2-dimethyl-indol-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(4-chloranyl-3-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-1,2-dimethyl-indol-1-ium-1-yl)ethanoic acid Openeye Name: 2-(4-chloro-3-hydroxy-phenyl)-2-(3-ethoxycarbonyl-1,2-dimethyl-indol-1-ium-1-yl)acetic acid CAS Name: 2-(4-chloro-3-hydroxyphenyl)-2-(3-ethoxycarbonyl-1,2-dimethyl-1-indol-1-iumyl)acetic acid IUPAC Name: 2-(4-chloro-3-hydroxyphenyl)-2-(3-ethoxycarbonyl-1,2-dimethylindol-1-ium-1-yl)acetic acid Traditional Name: 2-(3-carbethoxy-1,2-dimethyl-indol-1-ium-1-yl)-2-(4-chloro-3-hydroxy-phenyl)acetic acid Formula: C21H21ClNO5+ MolecularWeight: 402.84814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](C2=CC=CC=C21)(C)C(C3=CC(=C(C=C3)Cl)O)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C([N+](C2=CC=CC=C21)(C)C(C3=CC(=C(C=C3)Cl)O)C(=O)O)C

InChI

InChI=1S/C21H20ClNO5/c1-4-28-21(27)18-12(2)23(3,16-8-6-5-7-14(16)18)19(20(25)26)13-9-10-15(22)17(24)11-13/h5-11,19H,4H2,1-3H3,(H-,24,25,26)/p+1