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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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