sodium 3,5-bis(4-oxidanylbutoxycarbonyl)benzenesulfonic acid

Systemtic Name: sodium 3,5-bis(4-oxidanylbutoxycarbonyl)benzenesulfonic acid Openeye Name: sodium 3,5-bis(4-hydroxybutoxycarbonyl)benzenesulfonic acid CAS Name: sodium 3,5-bis[4-hydroxybutoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: sodium 3,5-bis(4-hydroxybutoxycarbonyl)benzenesulfonic acid Traditional Name: sodium 3,5-bis(4-hydroxybutoxycarbonyl)besylic acid Formula: C16H22NaO9S+ MolecularWeight: 413.39525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O9S.Na/c17-5-1-3-7-24-15(19)12-9-13(11-14(10-12)26(21,22)23)16(20)25-8-4-2-6-18;/h9-11,17-18H,1-8H2,(H,21,22,23);/q;+1