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sodium 2-carboxy-5-iodanyl-benzenesulfonate

sodium 2-carboxy-5-iodanyl-benzenesulfonate

Systemtic Name:sodium 2-carboxy-5-iodanyl-benzenesulfonate
Openeye Name:sodium 2-carboxy-5-iodo-benzenesulfonate
CAS Name:sodium 2-carboxy-5-iodobenzenesulfonate
IUPAC Name:sodium 2-carboxy-5-iodobenzenesulfonate
Traditional Name:sodium 2-carboxy-5-iodo-besylate
Formula: C7H4INaO5S
MolecularWeight: 350.0629
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1I)S(=O)(=O)[O-])C(=O)O.[Na+]


Isomeric SMILES

C1=CC(=C(C=C1I)S(=O)(=O)[O-])C(=O)O.[Na+]


InChI

InChI=1S/C7H5IO5S.Na/c8-4-1-2-5(7(9)10)6(3-4)14(11,12)13;/h1-3H,(H,9,10)(H,11,12,13);/q;+1/p-1


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