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trisodium 2,2-dibutyl-3-hexyl-3-sulfonato-butanedioate

trisodium 2,2-dibutyl-3-hexyl-3-sulfonato-butanedioate

Systemtic Name:trisodium 2,2-dibutyl-3-hexyl-3-sulfonato-butanedioate
Openeye Name:trisodium 2,2-dibutyl-3-hexyl-3-sulfonato-butanedioate
CAS Name:trisodium 2,2-dibutyl-3-hexyl-3-sulfonatobutanedioate
IUPAC Name:trisodium 2,2-dibutyl-3-hexyl-3-sulfonatobutanedioate
Traditional Name:trisodium 2,2-dibutyl-3-hexyl-3-sulfonato-succinate
Formula: C18H31Na3O7S
MolecularWeight: 460.46885
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H34O7S.3Na/c1-4-7-10-11-14-18(16(21)22,26(23,24)25)17(15(19)20,12-8-5-2)13-9-6-3;;;/h4-14H2,1-3H3,(H,19,20)(H,21,22)(H,23,24,25);;;/q;3*+1/p-3


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