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trisodium 2-decyl-3-(3-methylbutyl)-2-sulfonato-butanedioate

trisodium 2-decyl-3-(3-methylbutyl)-2-sulfonato-butanedioate

Systemtic Name:trisodium 2-decyl-3-(3-methylbutyl)-2-sulfonato-butanedioate
Openeye Name:trisodium 2-decyl-3-isopentyl-2-sulfonato-butanedioate
CAS Name:trisodium 2-decyl-3-(3-methylbutyl)-2-sulfonatobutanedioate
IUPAC Name:trisodium 2-decyl-3-(3-methylbutyl)-2-sulfonatobutanedioate
Traditional Name:trisodium 2-decyl-3-isoamyl-2-sulfonato-succinate
Formula: C19H33Na3O7S
MolecularWeight: 474.49543
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H36O7S.3Na/c1-4-5-6-7-8-9-10-11-14-19(18(22)23,27(24,25)26)16(17(20)21)13-12-15(2)3;;;/h15-16H,4-14H2,1-3H3,(H,20,21)(H,22,23)(H,24,25,26);;;/q;3*+1/p-3


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