sodium 3,5-bis(2-hydroxyethyloxycarbonyl)benzenesulfonate

Systemtic Name: sodium 3,5-bis(2-hydroxyethyloxycarbonyl)benzenesulfonate Openeye Name: sodium 3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonate CAS Name: sodium 3,5-bis[2-hydroxyethoxy(oxo)methyl]benzenesulfonate IUPAC Name: sodium 3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonate Traditional Name: sodium 3,5-bis(2-hydroxyethoxycarbonyl)besylate Formula: C12H13NaO9S MolecularWeight: 356.28099

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)OCCO)S(=O)(=O)[O-])C(=O)OCCO.[Na+]

Isomeric SMILES

C1=C(C=C(C=C1C(=O)OCCO)S(=O)(=O)[O-])C(=O)OCCO.[Na+]

InChI

InChI=1S/C12H14O9S.Na/c13-1-3-20-11(15)8-5-9(12(16)21-4-2-14)7-10(6-8)22(17,18)19;/h5-7,13-14H,1-4H2,(H,17,18,19);/q;+1/p-1