5-iodanyl-2-[[(2S)-2-methyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]benzoic acid

Systemtic Name: 5-iodanyl-2-[[(2S)-2-methyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]benzoic acid Openeye Name: 2-[[(2S)-4-hydroxy-2-methyl-4-oxo-butanoyl]amino]-5-iodo-benzoic acid CAS Name: 2-[[(2S)-4-hydroxy-2-methyl-1,4-dioxobutyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[(2S)-4-hydroxy-2-methyl-4-oxobutanoyl]amino]-5-iodobenzoic acid Traditional Name: 2-[[(2S)-4-hydroxy-4-keto-2-methyl-butanoyl]amino]-5-iodo-benzoic acid Formula: C12H12INO5 MolecularWeight: 377.13185

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)NC1=C(C=C(C=C1)I)C(=O)O

Isomeric SMILES

C[C@@H](CC(=O)O)C(=O)NC1=C(C=C(C=C1)I)C(=O)O

InChI

InChI=1S/C12H12INO5/c1-6(4-10(15)16)11(17)14-9-3-2-7(13)5-8(9)12(18)19/h2-3,5-6H,4H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t6-/m0/s1