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disodium 2-octadecyl-2-sulfo-butanedioate

disodium 2-octadecyl-2-sulfo-butanedioate

Systemtic Name:disodium 2-octadecyl-2-sulfo-butanedioate
Openeye Name:disodium 2-octadecyl-2-sulfo-butanedioate
CAS Name:disodium 2-octadecyl-2-sulfobutanedioate
IUPAC Name:disodium 2-octadecyl-2-sulfobutanedioate
Traditional Name:disodium 2-stearyl-2-sulfo-succinate
Formula: C22H40Na2O7S
MolecularWeight: 494.59334
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H42O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21(25)26,19-20(23)24)30(27,28)29;;/h2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2


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