2-[[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3,5-bis(iodanyl)-2-oxidanyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-hydroxy-3,5-diiodo-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(2-hydroxy-3,5-diiodophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-hydroxy-3,5-diiodobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-hydroxy-3,5-diiodo-benzoyl)amino]-4-(methylthio)butyric acid Formula: C12H13I2NO4S MolecularWeight: 521.10986

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CC(=C1O)I)I

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC(=CC(=C1O)I)I

InChI

InChI=1S/C12H13I2NO4S/c1-20-3-2-9(12(18)19)15-11(17)7-4-6(13)5-8(14)10(7)16/h4-5,9,16H,2-3H2,1H3,(H,15,17)(H,18,19)