2-acetyloxyethyl(trimethyl)azanium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 2-acetyloxyethyl(trimethyl)azanium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 2-acetoxyethyl(trimethyl)ammonium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: 2-acetyloxyethyl(trimethyl)ammonium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 2-acetyloxyethyl(trimethyl)azanium; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid Traditional Name: 2-acetoxyethyl(trimethyl)ammonium; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonic acid Formula: C27H54NO9S+ MolecularWeight: 568.78396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.CC(=O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.CC(=O)OCC[N+](C)(C)C

InChI

InChI=1S/C20H38O7S.C7H16NO2/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;1-7(9)10-6-5-8(2,3)4/h16-18H,5-15H2,1-4H3,(H,23,24,25);5-6H2,1-4H3/q;+1