magnesium; sodium; 3-(2-hydroxyethyloxycarbonyl)benzenesulfonate; 3-(2-hydroxyethyloxycarbonyl)-5-sulfonato-benzoate

Systemtic Name: magnesium; sodium; 3-(2-hydroxyethyloxycarbonyl)benzenesulfonate; 3-(2-hydroxyethyloxycarbonyl)-5-sulfonato-benzoate Openeye Name: magnesium; sodium; 3-(2-hydroxyethoxycarbonyl)benzenesulfonate; 3-(2-hydroxyethoxycarbonyl)-5-sulfonato-benzoate CAS Name: magnesium; sodium; 3-[2-hydroxyethoxy(oxo)methyl]benzenesulfonate; 3-[2-hydroxyethoxy(oxo)methyl]-5-sulfonatobenzoate IUPAC Name: magnesium; sodium; 3-(2-hydroxyethoxycarbonyl)benzenesulfonate; 3-(2-hydroxyethoxycarbonyl)-5-sulfonatobenzoate Traditional Name: magnesium; sodium; 3-(2-hydroxyethoxycarbonyl)besylate; 3-(2-hydroxyethoxycarbonyl)-5-sulfonato-benzoate Formula: C19H17MgNaO14S2 MolecularWeight: 580.75465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OCCO.C1=C(C=C(C=C1C(=O)OCCO)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Mg+2]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OCCO.C1=C(C=C(C=C1C(=O)OCCO)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Mg+2]

InChI

InChI=1S/C10H10O8S.C9H10O6S.Mg.Na/c11-1-2-18-10(14)7-3-6(9(12)13)4-8(5-7)19(15,16)17;10-4-5-15-9(11)7-2-1-3-8(6-7)16(12,13)14;;/h3-5,11H,1-2H2,(H,12,13)(H,15,16,17);1-3,6,10H,4-5H2,(H,12,13,14);;/q;;+2;+1/p-3