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

Systemtic Name: 1-ethyl-1-[1-(3-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]-2-methyl-indol-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-1-[2-hydroxy-1-(3-hydroxyphenyl)-2-oxo-ethyl]-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 1-ethyl-1-[2-hydroxy-1-(3-hydroxyphenyl)-2-oxoethyl]-2-methyl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-ethyl-1-[2-hydroxy-1-(3-hydroxyphenyl)-2-oxoethyl]-2-methylindol-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-1-[2-hydroxy-1-(3-hydroxyphenyl)-2-keto-ethyl]-2-methyl-indol-1-ium-3-carboxylic acid Formula: C20H20NO5+ MolecularWeight: 354.3765

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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)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-3-21(18(20(25)26)13-7-6-8-14(22)11-13)12(2)17(19(23)24)15-9-4-5-10-16(15)21/h4-11,18H,3H2,1-2H3,(H2-,22,23,24,25,26)/p+1