trisodium 2,3-diheptyl-2-sulfonato-butanedioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)[O-])C(CCCCCCC)(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(C(=O)[O-])C(CCCCCCC)(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H34O7S.3Na/c1-3-5-7-9-11-13-15(16(19)20)18(17(21)22,26(23,24)25)14-12-10-8-6-4-2;;;/h15H,3-14H2,1-2H3,(H,19,20)(H,21,22)(H,23,24,25);;;/q;3*+1/p-3