sodium 3-methoxycarbonyl-5-propoxycarbonyl-benzenesulfonate

Systemtic Name: sodium 3-methoxycarbonyl-5-propoxycarbonyl-benzenesulfonate Openeye Name: sodium 3-methoxycarbonyl-5-propoxycarbonyl-benzenesulfonate CAS Name: sodium 3-methoxycarbonyl-5-[oxo(propoxy)methyl]benzenesulfonate IUPAC Name: sodium 3-methoxycarbonyl-5-propoxycarbonylbenzenesulfonate Traditional Name: sodium 3-carbomethoxy-5-propoxycarbonyl-besylate Formula: C12H13NaO7S MolecularWeight: 324.28219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O7S.Na/c1-3-4-19-12(14)9-5-8(11(13)18-2)6-10(7-9)20(15,16)17;/h5-7H,3-4H2,1-2H3,(H,15,16,17);/q;+1/p-1