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

Systemtic Name: barium(2+); 3,5-bis(3-methylbutoxycarbonyl)benzenesulfonic acid Openeye Name: barium(2+); 3,5-bis(isopentyloxycarbonyl)benzenesulfonic acid CAS Name: barium(2+); 3,5-bis[3-methylbutoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: barium(2+); 3,5-bis(3-methylbutoxycarbonyl)benzenesulfonic acid Traditional Name: barium(2+); 3,5-bis(isoamoxycarbonyl)besylic acid Formula: C18H26BaO7S+2 MolecularWeight: 523.78684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O7S.Ba/c1-12(2)5-7-24-17(19)14-9-15(11-16(10-14)26(21,22)23)18(20)25-8-6-13(3)4;/h9-13H,5-8H2,1-4H3,(H,21,22,23);/q;+2