3,5-bis(methoxycarbonyl)benzenesulfonic acid; tetrabutylazanium

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; tetrabutylazanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; tetrabutylammonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; tetrabutylammonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonic acid; tetrabutylazanium Traditional Name: 3,5-dicarbomethoxybesylic acid; tetrabutylammonium Formula: C26H46NO7S+ MolecularWeight: 516.71094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C16H36N.C10H10O7S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h5-16H2,1-4H3;3-5H,1-2H3,(H,13,14,15)/q+1;