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

Systemtic Name: trisodium 2,2-bis(2-ethylhexyl)-3-sulfonato-butanedioate Openeye Name: trisodium 2,2-bis(2-ethylhexyl)-3-sulfonato-butanedioate CAS Name: trisodium 2,2-bis(2-ethylhexyl)-3-sulfonatobutanedioate IUPAC Name: trisodium 2,2-bis(2-ethylhexyl)-3-sulfonatobutanedioate Traditional Name: trisodium 2,2-bis(2-ethylhexyl)-3-sulfonato-succinate Formula: C20H35Na3O7S MolecularWeight: 488.52201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.3Na/c1-5-9-11-15(7-3)13-20(19(23)24,14-16(8-4)12-10-6-2)17(18(21)22)28(25,26)27;;;/h15-17H,5-14H2,1-4H3,(H,21,22)(H,23,24)(H,25,26,27);;;/q;3*+1/p-3