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

Systemtic Name: barium(2+); 3,5-bis(propoxycarbonyl)benzenesulfonic acid Openeye Name: barium(2+); 3,5-bis(propoxycarbonyl)benzenesulfonic acid CAS Name: barium(2+); 3,5-bis[oxo(propoxy)methyl]benzenesulfonic acid IUPAC Name: barium(2+); 3,5-bis(propoxycarbonyl)benzenesulfonic acid Traditional Name: barium(2+); 3,5-bis(propoxycarbonyl)besylic acid Formula: C14H18BaO7S+2 MolecularWeight: 467.68052

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCCC.[Ba+2]

Isomeric SMILES

CCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCCC.[Ba+2]

InChI

InChI=1S/C14H18O7S.Ba/c1-3-5-20-13(15)10-7-11(14(16)21-6-4-2)9-12(8-10)22(17,18)19;/h7-9H,3-6H2,1-2H3,(H,17,18,19);/q;+2