trisodium 2,3-bis(2,6-dimethylheptan-4-yl)-2-sulfonato-butanedioate

Systemtic Name: trisodium 2,3-bis(2,6-dimethylheptan-4-yl)-2-sulfonato-butanedioate Openeye Name: trisodium 2,3-bis(1-isobutyl-3-methyl-butyl)-2-sulfonato-butanedioate CAS Name: trisodium 2,3-bis(2,6-dimethylheptan-4-yl)-2-sulfonatobutanedioate IUPAC Name: trisodium 2,3-bis(2,6-dimethylheptan-4-yl)-2-sulfonatobutanedioate Traditional Name: trisodium 2,3-bis(1-isobutyl-3-methyl-butyl)-2-sulfonato-succinate Formula: C22H39Na3O7S MolecularWeight: 516.57517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S.3Na/c1-13(2)9-17(10-14(3)4)19(20(23)24)22(21(25)26,30(27,28)29)18(11-15(5)6)12-16(7)8;;;/h13-19H,9-12H2,1-8H3,(H,23,24)(H,25,26)(H,27,28,29);;;/q;3*+1/p-3