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calcium 2,3-didecyl-2-sulfo-butanedioate

calcium 2,3-didecyl-2-sulfo-butanedioate

Systemtic Name:calcium 2,3-didecyl-2-sulfo-butanedioate
Openeye Name:calcium 2,3-didecyl-2-sulfo-butanedioate
CAS Name:calcium 2,3-didecyl-2-sulfobutanedioate
IUPAC Name:calcium 2,3-didecyl-2-sulfobutanedioate
Traditional Name:calcium 2,3-didecyl-2-sulfo-succinate
Formula: C24H44CaO7S
MolecularWeight: 516.74496
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)[O-])C(CCCCCCCCCC)(C(=O)[O-])S(=O)(=O)O.[Ca+2]


Isomeric SMILES

CCCCCCCCCCC(C(=O)[O-])C(CCCCCCCCCC)(C(=O)[O-])S(=O)(=O)O.[Ca+2]


InChI

InChI=1S/C24H46O7S.Ca/c1-3-5-7-9-11-13-15-17-19-21(22(25)26)24(23(27)28,32(29,30)31)20-18-16-14-12-10-8-6-4-2;/h21H,3-20H2,1-2H3,(H,25,26)(H,27,28)(H,29,30,31);/q;+2/p-2


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