sodium 4-methoxy-2-methoxycarbonyl-benzenesulfonate

Systemtic Name: sodium 4-methoxy-2-methoxycarbonyl-benzenesulfonate Openeye Name: sodium 4-methoxy-2-methoxycarbonyl-benzenesulfonate CAS Name: sodium 4-methoxy-2-methoxycarbonylbenzenesulfonate IUPAC Name: sodium 4-methoxy-2-methoxycarbonylbenzenesulfonate Traditional Name: sodium 2-carbomethoxy-4-methoxy-besylate Formula: C9H9NaO6S MolecularWeight: 268.21893

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)[O-])C(=O)OC.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)[O-])C(=O)OC.[Na+]

InChI

InChI=1S/C9H10O6S.Na/c1-14-6-3-4-8(16(11,12)13)7(5-6)9(10)15-2;/h3-5H,1-2H3,(H,11,12,13);/q;+1/p-1