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

Systemtic Name: 1-[1-(3-chloranyl-5-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]-2-methyl-indole-3-carboxylic acid Openeye Name: 1-[1-(3-chloro-5-hydroxy-phenyl)-2-hydroxy-2-oxo-ethyl]-2-methyl-indole-3-carboxylic acid CAS Name: 1-[1-(3-chloro-5-hydroxyphenyl)-2-hydroxy-2-oxoethyl]-2-methyl-3-indolecarboxylic acid IUPAC Name: 1-[1-(3-chloro-5-hydroxyphenyl)-2-hydroxy-2-oxoethyl]-2-methylindole-3-carboxylic acid Traditional Name: 1-[1-(3-chloro-5-hydroxy-phenyl)-2-hydroxy-2-keto-ethyl]-2-methyl-indole-3-carboxylic acid Formula: C18H14ClNO5 MolecularWeight: 359.76046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C(C3=CC(=CC(=C3)Cl)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C(C3=CC(=CC(=C3)Cl)O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14ClNO5/c1-9-15(17(22)23)13-4-2-3-5-14(13)20(9)16(18(24)25)10-6-11(19)8-12(21)7-10/h2-8,16,21H,1H3,(H,22,23)(H,24,25)