sodium; 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate; 2-sulfobutanedioic acid

Systemtic Name: sodium; 1,4-dioctoxy-1,4-bis(oxidanylidene)butane-2-sulfonate; 2-sulfobutanedioic acid Openeye Name: sodium; 1,4-dioctoxy-1,4-dioxo-butane-2-sulfonate; 2-sulfobutanedioic acid CAS Name: sodium; 1,4-dioctoxy-1,4-dioxo-2-butanesulfonate; 2-sulfobutanedioic acid IUPAC Name: sodium; 1,4-dioctoxy-1,4-dioxobutane-2-sulfonate; 2-sulfobutanedioic acid Traditional Name: sodium; 1,4-diketo-1,4-dioctoxy-butane-2-sulfonate; 2-sulfosuccinic acid Formula: C24H43NaO14S2 MolecularWeight: 642.70959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-].C(C(C(=O)O)S(=O)(=O)O)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-].C(C(C(=O)O)S(=O)(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C20H38O7S.C4H6O7S.Na/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;5-3(6)1-2(4(7)8)12(9,10)11;/h18H,3-17H2,1-2H3,(H,23,24,25);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);/q;;+1/p-1