1-[1-(4-chloranyl-3-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid

Systemtic Name: 1-[1-(4-chloranyl-3-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid Openeye Name: 1-[1-(4-chloro-3-hydroxy-phenyl)-2-hydroxy-2-oxo-ethyl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid CAS Name: 1-[1-(4-chloro-3-hydroxyphenyl)-2-hydroxy-2-oxoethyl]-1,2-dimethyl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-[1-(4-chloro-3-hydroxyphenyl)-2-hydroxy-2-oxoethyl]-1,2-dimethylindol-1-ium-3-carboxylic acid Traditional Name: 1-[1-(4-chloro-3-hydroxy-phenyl)-2-hydroxy-2-keto-ethyl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid Formula: C19H17ClNO5+ MolecularWeight: 374.79498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2[N+]1(C)C(C3=CC(=C(C=C3)Cl)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2[N+]1(C)C(C3=CC(=C(C=C3)Cl)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H16ClNO5/c1-10-16(18(23)24)12-5-3-4-6-14(12)21(10,2)17(19(25)26)11-7-8-13(20)15(22)9-11/h3-9,17H,1-2H3,(H2-,22,23,24,25,26)/p+1