sodium 5-(3-iodanylpropanoylamino)-2-methyl-4-oxidanyl-benzoate

Systemtic Name: sodium 5-(3-iodanylpropanoylamino)-2-methyl-4-oxidanyl-benzoate Openeye Name: sodium 4-hydroxy-5-(3-iodopropanoylamino)-2-methyl-benzoate CAS Name: sodium 4-hydroxy-5-[(3-iodo-1-oxopropyl)amino]-2-methylbenzoate IUPAC Name: sodium 4-hydroxy-5-(3-iodopropanoylamino)-2-methylbenzoate Traditional Name: sodium 4-hydroxy-5-(3-iodopropanoylamino)-2-methyl-benzoate Formula: C11H11INNaO4 MolecularWeight: 371.10358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)[O-])NC(=O)CCI)O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[O-])NC(=O)CCI)O.[Na+]

InChI

InChI=1S/C11H12INO4.Na/c1-6-4-9(14)8(5-7(6)11(16)17)13-10(15)2-3-12;/h4-5,14H,2-3H2,1H3,(H,13,15)(H,16,17);/q;+1/p-1