sodium 2-methoxycarbonylbenzene-6-ide-1-sulfonic acid

Systemtic Name: sodium 2-methoxycarbonylbenzene-6-ide-1-sulfonic acid Openeye Name: sodium 2-methoxycarbonylbenzene-6-ide-1-sulfonic acid CAS Name: sodium 2-methoxycarbonyl-1-benzene-6-idesulfonic acid IUPAC Name: sodium 2-methoxycarbonylbenzene-6-ide-1-sulfonic acid Traditional Name: sodium 2-carbomethoxybenzene-6-ide-1-sulfonic acid Formula: C8H7NaO5S MolecularWeight: 238.19295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7O5S.Na/c1-13-8(9)6-4-2-3-5-7(6)14(10,11)12;/h2-4H,1H3,(H,10,11,12);/q-1;+1