trisodium 2,3-bis(2-methylhexyl)-2-sulfonato-butanedioate

Systemtic Name: trisodium 2,3-bis(2-methylhexyl)-2-sulfonato-butanedioate Openeye Name: trisodium 2,3-bis(2-methylhexyl)-2-sulfonato-butanedioate CAS Name: trisodium 2,3-bis(2-methylhexyl)-2-sulfonatobutanedioate IUPAC Name: trisodium 2,3-bis(2-methylhexyl)-2-sulfonatobutanedioate Traditional Name: trisodium 2,3-bis(2-methylhexyl)-2-sulfonato-succinate Formula: C18H31Na3O7S MolecularWeight: 460.46885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O7S.3Na/c1-5-7-9-13(3)11-15(16(19)20)18(17(21)22,26(23,24)25)12-14(4)10-8-6-2;;;/h13-15H,5-12H2,1-4H3,(H,19,20)(H,21,22)(H,23,24,25);;;/q;3*+1/p-3