barium(2+); 3,5-bis(hexoxycarbonyl)benzenesulfonic acid

Systemtic Name: barium(2+); 3,5-bis(hexoxycarbonyl)benzenesulfonic acid Openeye Name: barium(2+); 3,5-bis(hexoxycarbonyl)benzenesulfonic acid CAS Name: barium(2+); 3,5-bis[hexoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: barium(2+); 3,5-bis(hexoxycarbonyl)benzenesulfonic acid Traditional Name: barium(2+); 3,5-bis(hexoxycarbonyl)besylic acid Formula: C20H30BaO7S+2 MolecularWeight: 551.84

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCCCCCC.[Ba+2]

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCCCCCC.[Ba+2]

InChI

InChI=1S/C20H30O7S.Ba/c1-3-5-7-9-11-26-19(21)16-13-17(15-18(14-16)28(23,24)25)20(22)27-12-10-8-6-4-2;/h13-15H,3-12H2,1-2H3,(H,23,24,25);/q;+2