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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCCCC.[Ba+2]

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCCCC.[Ba+2]

InChI

InChI=1S/C16H22O7S.Ba/c1-3-5-7-22-15(17)12-9-13(16(18)23-8-6-4-2)11-14(10-12)24(19,20)21;/h9-11H,3-8H2,1-2H3,(H,19,20,21);/q;+2