disodium 2,3-dioctadecyl-2-sulfo-butanedioate

Systemtic Name: disodium 2,3-dioctadecyl-2-sulfo-butanedioate Openeye Name: disodium 2,3-dioctadecyl-2-sulfo-butanedioate CAS Name: disodium 2,3-dioctadecyl-2-sulfobutanedioate IUPAC Name: disodium 2,3-dioctadecyl-2-sulfobutanedioate Traditional Name: disodium 2,3-distearyl-2-sulfo-succinate Formula: C40H76Na2O7S MolecularWeight: 747.07178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H78O7S.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38(41)42)40(39(43)44,48(45,46)47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h37H,3-36H2,1-2H3,(H,41,42)(H,43,44)(H,45,46,47);;/q;2*+1/p-2