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

Systemtic Name: barium(2+); 3,5-bis(2-methylpropoxycarbonyl)benzenesulfonic acid Openeye Name: barium(2+); 3,5-bis(isobutoxycarbonyl)benzenesulfonic acid CAS Name: barium(2+); 3,5-bis[2-methylpropoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: barium(2+); 3,5-bis(2-methylpropoxycarbonyl)benzenesulfonic acid Traditional Name: barium(2+); 3,5-bis(isobutoxycarbonyl)besylic acid Formula: C16H22BaO7S+2 MolecularWeight: 495.73368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCC(C)C.[Ba+2]

Isomeric SMILES

CC(C)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCC(C)C.[Ba+2]

InChI

InChI=1S/C16H22O7S.Ba/c1-10(2)8-22-15(17)12-5-13(16(18)23-9-11(3)4)7-14(6-12)24(19,20)21;/h5-7,10-11H,8-9H2,1-4H3,(H,19,20,21);/q;+2