trisodium 2,3-di(octan-4-yl)-2-sulfonato-butanedioate

Systemtic Name: trisodium 2,3-di(octan-4-yl)-2-sulfonato-butanedioate Openeye Name: trisodium 2,3-bis(1-propylpentyl)-2-sulfonato-butanedioate CAS Name: trisodium 2,3-di(octan-4-yl)-2-sulfonatobutanedioate IUPAC Name: trisodium 2,3-di(octan-4-yl)-2-sulfonatobutanedioate Traditional Name: trisodium 2,3-bis(1-propylpentyl)-2-sulfonato-succinate Formula: C20H35Na3O7S MolecularWeight: 488.52201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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