sodium 3-(4-oxidanylbutoxycarbonyl)benzenesulfonate

Systemtic Name: sodium 3-(4-oxidanylbutoxycarbonyl)benzenesulfonate Openeye Name: sodium 3-(4-hydroxybutoxycarbonyl)benzenesulfonate CAS Name: sodium 3-[4-hydroxybutoxy(oxo)methyl]benzenesulfonate IUPAC Name: sodium 3-(4-hydroxybutoxycarbonyl)benzenesulfonate Traditional Name: sodium 3-(4-hydroxybutoxycarbonyl)besylate Formula: C11H13NaO6S MolecularWeight: 296.27209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O6S.Na/c12-6-1-2-7-17-11(13)9-4-3-5-10(8-9)18(14,15)16;/h3-5,8,12H,1-2,6-7H2,(H,14,15,16);/q;+1/p-1