trisodium 2,3-di(hexan-2-yl)-2-sulfonato-butanedioate

Systemtic Name: trisodium 2,3-di(hexan-2-yl)-2-sulfonato-butanedioate Openeye Name: trisodium 2,3-bis(1-methylpentyl)-2-sulfonato-butanedioate CAS Name: trisodium 2,3-di(hexan-2-yl)-2-sulfonatobutanedioate IUPAC Name: trisodium 2,3-di(hexan-2-yl)-2-sulfonatobutanedioate Traditional Name: trisodium 2,3-bis(1-methylpentyl)-2-sulfonato-succinate Formula: C16H27Na3O7S MolecularWeight: 432.41569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C(=O)[O-])C(C(C)CCCC)(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCC(C)C(C(=O)[O-])C(C(C)CCCC)(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H30O7S.3Na/c1-5-7-9-11(3)13(14(17)18)16(15(19)20,24(21,22)23)12(4)10-8-6-2;;;/h11-13H,5-10H2,1-4H3,(H,17,18)(H,19,20)(H,21,22,23);;;/q;3*+1/p-3