[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C15H12INO6 MolecularWeight: 429.16335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC(=C(C(=C2)O)O)O)I

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC(=C(C(=C2)O)O)O)I

InChI

InChI=1S/C15H12INO6/c16-9-1-3-10(4-2-9)17-13(20)7-23-15(22)8-5-11(18)14(21)12(19)6-8/h1-6,18-19,21H,7H2,(H,17,20)