sodium 2,6-bis(4-oxidanylbutoxycarbonyl)benzenesulfonate

Systemtic Name: sodium 2,6-bis(4-oxidanylbutoxycarbonyl)benzenesulfonate Openeye Name: sodium 2,6-bis(4-hydroxybutoxycarbonyl)benzenesulfonate CAS Name: sodium 2,6-bis[4-hydroxybutoxy(oxo)methyl]benzenesulfonate IUPAC Name: sodium 2,6-bis(4-hydroxybutoxycarbonyl)benzenesulfonate Traditional Name: sodium 2,6-bis(4-hydroxybutoxycarbonyl)besylate Formula: C16H21NaO9S MolecularWeight: 412.38731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O9S.Na/c17-8-1-3-10-24-15(19)12-6-5-7-13(14(12)26(21,22)23)16(20)25-11-4-2-9-18;/h5-7,17-18H,1-4,8-11H2,(H,21,22,23);/q;+1/p-1