sodium 4-(3-iodanylpropanoylamino)-2,5-dimethyl-benzoate

Systemtic Name: sodium 4-(3-iodanylpropanoylamino)-2,5-dimethyl-benzoate Openeye Name: sodium 4-(3-iodopropanoylamino)-2,5-dimethyl-benzoate CAS Name: sodium 4-[(3-iodo-1-oxopropyl)amino]-2,5-dimethylbenzoate IUPAC Name: sodium 4-(3-iodopropanoylamino)-2,5-dimethylbenzoate Traditional Name: sodium 4-(3-iodopropanoylamino)-2,5-dimethyl-benzoate Formula: C12H13INNaO3 MolecularWeight: 369.13076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14INO3.Na/c1-7-6-10(14-11(15)3-4-13)8(2)5-9(7)12(16)17;/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17);/q;+1/p-1