sodium 3-methoxycarbonylbenzenesulfonate

Systemtic Name: sodium 3-methoxycarbonylbenzenesulfonate Openeye Name: sodium 3-methoxycarbonylbenzenesulfonate CAS Name: sodium 3-methoxycarbonylbenzenesulfonate IUPAC Name: sodium 3-methoxycarbonylbenzenesulfonate Traditional Name: sodium 3-carbomethoxybesylate Formula: C8H7NaO5S MolecularWeight: 238.19295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O5S.Na/c1-13-8(9)6-3-2-4-7(5-6)14(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1