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trisodium 2-octadecoxy-3-sulfo-butanedioate

trisodium 2-octadecoxy-3-sulfo-butanedioate

Systemtic Name:trisodium 2-octadecoxy-3-sulfo-butanedioate
Openeye Name:trisodium 2-octadecoxy-3-sulfo-butanedioate
CAS Name:trisodium 2-octadecoxy-3-sulfobutanedioate
IUPAC Name:trisodium 2-octadecoxy-3-sulfobutanedioate
Traditional Name:trisodium 2-stearyloxy-3-sulfo-succinate
Formula: C22H40Na3O8S+
MolecularWeight: 533.58251
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H42O8S.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-19(21(23)24)20(22(25)26)31(27,28)29;;;/h19-20H,2-18H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;;/q;3*+1/p-2


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