disodium; 2-dodecyl-2-sulfo-butanedioate; 2-sulfobutanedioate

Systemtic Name: disodium; 2-dodecyl-2-sulfo-butanedioate; 2-sulfobutanedioate Openeye Name: disodium; 2-dodecyl-2-sulfo-butanedioate; 2-sulfobutanedioate CAS Name: disodium; 2-dodecyl-2-sulfobutanedioate; 2-sulfobutanedioate IUPAC Name: disodium; 2-dodecyl-2-sulfobutanedioate; 2-sulfobutanedioate Traditional Name: disodium; 2-lauryl-2-sulfo-succinate; 2-sulfosuccinate Formula: C20H32Na2O14S2-2 MolecularWeight: 606.56922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O7S.C4H6O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(15(19)20,13-14(17)18)24(21,22)23;5-3(6)1-2(4(7)8)12(9,10)11;;/h2-13H2,1H3,(H,17,18)(H,19,20)(H,21,22,23);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;/q;;2*+1/p-4