trisodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; 2-sulfobutanedioate

Systemtic Name: trisodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; 2-sulfobutanedioate Openeye Name: trisodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate; 2-sulfobutanedioate CAS Name: trisodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate; 2-sulfobutanedioate IUPAC Name: trisodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate; 2-sulfobutanedioate Traditional Name: trisodium; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate; 2-sulfosuccinate Formula: C24H41Na3O14S2 MolecularWeight: 686.67325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.C4H6O7S.3Na/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;5-3(6)1-2(4(7)8)12(9,10)11;;;/h16-18H,5-15H2,1-4H3,(H,23,24,25);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;/q;;3*+1/p-3