trisodium; 1-butoxybutane; 2,3-dioctyl-2-sulfonato-butanedioate

Systemtic Name: trisodium; 1-butoxybutane; 2,3-dioctyl-2-sulfonato-butanedioate Openeye Name: trisodium; 1-butoxybutane; 2,3-dioctyl-2-sulfonato-butanedioate CAS Name: trisodium; 1-butoxybutane; 2,3-dioctyl-2-sulfonatobutanedioate IUPAC Name: trisodium; 1-butoxybutane; 2,3-dioctyl-2-sulfonatobutanedioate Traditional Name: trisodium; 1-butoxybutane; 2,3-dioctyl-2-sulfonato-succinate Formula: C44H89Na3O10S MolecularWeight: 879.20577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.3C8H18O.3Na/c1-3-5-7-9-11-13-15-17(18(21)22)20(19(23)24,28(25,26)27)16-14-12-10-8-6-4-2;3*1-3-5-7-9-8-6-4-2;;;/h17H,3-16H2,1-2H3,(H,21,22)(H,23,24)(H,25,26,27);3*3-8H2,1-2H3;;;/q;;;;3*+1/p-3