1-ethyl-1-[2-(3-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-2-methyl-indol-1-ium-3-carboxylic acid

Systemtic Name: 1-ethyl-1-[2-(3-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-2-methyl-indol-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-1-[2-hydroxy-1-(3-hydroxyphenyl)-1-methyl-2-oxo-ethyl]-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 1-ethyl-1-[1-hydroxy-2-(3-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-ethyl-1-[1-hydroxy-2-(3-hydroxyphenyl)-1-oxopropan-2-yl]-2-methylindol-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-1-[2-hydroxy-1-(3-hydroxyphenyl)-2-keto-1-methyl-ethyl]-2-methyl-indol-1-ium-3-carboxylic acid Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-4-22(21(3,20(26)27)14-8-7-9-15(23)12-14)13(2)18(19(24)25)16-10-5-6-11-17(16)22/h5-12H,4H2,1-3H3,(H2-,23,24,25,26,27)/p+1