disodium 2,2-di(nonyl)-3-sulfo-butanedioate

Systemtic Name: disodium 2,2-di(nonyl)-3-sulfo-butanedioate Openeye Name: disodium 2,2-di(nonyl)-3-sulfo-butanedioate CAS Name: disodium 2,2-di(nonyl)-3-sulfobutanedioate IUPAC Name: disodium 2,2-di(nonyl)-3-sulfobutanedioate Traditional Name: disodium 2,2-di(nonyl)-3-sulfo-succinate Formula: C22H40Na2O7S MolecularWeight: 494.59334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCC)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCC)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H42O7S.2Na/c1-3-5-7-9-11-13-15-17-22(21(25)26,19(20(23)24)30(27,28)29)18-16-14-12-10-8-6-4-2;;/h19H,3-18H2,1-2H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2