trisodium 2,3-bis(10-methylundecyl)-2-sulfonato-butanedioate

Systemtic Name: trisodium 2,3-bis(10-methylundecyl)-2-sulfonato-butanedioate Openeye Name: trisodium 2,3-bis(10-methylundecyl)-2-sulfonato-butanedioate CAS Name: trisodium 2,3-bis(10-methylundecyl)-2-sulfonatobutanedioate IUPAC Name: trisodium 2,3-bis(10-methylundecyl)-2-sulfonatobutanedioate Traditional Name: trisodium 2,3-bis(10-methylundecyl)-2-sulfonato-succinate Formula: C28H51Na3O7S MolecularWeight: 600.73465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H54O7S.3Na/c1-23(2)19-15-11-7-5-9-13-17-21-25(26(29)30)28(27(31)32,36(33,34)35)22-18-14-10-6-8-12-16-20-24(3)4;;;/h23-25H,5-22H2,1-4H3,(H,29,30)(H,31,32)(H,33,34,35);;;/q;3*+1/p-3