1-[1-(2-chloranyl-5-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-indol-1-ium-3-carboxylic acid

Systemtic Name: 1-[1-(2-chloranyl-5-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-indol-1-ium-3-carboxylic acid Openeye Name: 1-[1-(2-chloro-5-hydroxy-phenyl)-2-hydroxy-2-oxo-ethyl]-1-ethyl-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 1-[1-(2-chloro-5-hydroxyphenyl)-2-hydroxy-2-oxoethyl]-1-ethyl-2-methyl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-[1-(2-chloro-5-hydroxyphenyl)-2-hydroxy-2-oxoethyl]-1-ethyl-2-methylindol-1-ium-3-carboxylic acid Traditional Name: 1-[1-(2-chloro-5-hydroxy-phenyl)-2-hydroxy-2-keto-ethyl]-1-ethyl-2-methyl-indol-1-ium-3-carboxylic acid Formula: C20H19ClNO5+ MolecularWeight: 388.82156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C2=CC=CC=C21)C(=O)O)C)C(C3=C(C=CC(=C3)O)Cl)C(=O)O

Isomeric SMILES

CC[N+]1(C(=C(C2=CC=CC=C21)C(=O)O)C)C(C3=C(C=CC(=C3)O)Cl)C(=O)O

InChI

InChI=1S/C20H18ClNO5/c1-3-22(18(20(26)27)14-10-12(23)8-9-15(14)21)11(2)17(19(24)25)13-6-4-5-7-16(13)22/h4-10,18H,3H2,1-2H3,(H2-,23,24,25,26,27)/p+1