trisodium 2,3-bis(11-methyldodecyl)-2-sulfonato-butanedioate

Systemtic Name: trisodium 2,3-bis(11-methyldodecyl)-2-sulfonato-butanedioate Openeye Name: trisodium 2,3-bis(11-methyldodecyl)-2-sulfonato-butanedioate CAS Name: trisodium 2,3-bis(11-methyldodecyl)-2-sulfonatobutanedioate IUPAC Name: trisodium 2,3-bis(11-methyldodecyl)-2-sulfonatobutanedioate Traditional Name: trisodium 2,3-bis(11-methyldodecyl)-2-sulfonato-succinate Formula: C30H55Na3O7S MolecularWeight: 628.78781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H58O7S.3Na/c1-25(2)21-17-13-9-5-6-11-15-19-23-27(28(31)32)30(29(33)34,38(35,36)37)24-20-16-12-8-7-10-14-18-22-26(3)4;;;/h25-27H,5-24H2,1-4H3,(H,31,32)(H,33,34)(H,35,36,37);;;/q;3*+1/p-3