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sodium 4-[6-(2-ethylhexanoylamino)hexanoyloxy]benzenesulfonate

sodium 4-[6-(2-ethylhexanoylamino)hexanoyloxy]benzenesulfonate

Systemtic Name:sodium 4-[6-(2-ethylhexanoylamino)hexanoyloxy]benzenesulfonate
Openeye Name:sodium 4-[6-(2-ethylhexanoylamino)hexanoyloxy]benzenesulfonate
CAS Name:sodium 4-[6-[(2-ethyl-1-oxohexyl)amino]-1-oxohexoxy]benzenesulfonate
IUPAC Name:sodium 4-[6-(2-ethylhexanoylamino)hexanoyloxy]benzenesulfonate
Traditional Name:sodium 4-[6-(2-ethylhexanoylamino)hexanoyloxy]besylate
Formula: C20H30NNaO6S
MolecularWeight: 435.51007
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CCCCC(CC)C(=O)NCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C20H31NO6S.Na/c1-3-5-9-16(4-2)20(23)21-15-8-6-7-10-19(22)27-17-11-13-18(14-12-17)28(24,25)26;/h11-14,16H,3-10,15H2,1-2H3,(H,21,23)(H,24,25,26);/q;+1/p-1


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