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sodium 4-[6-(nonanoylamino)hexanoyloxy]benzenesulfonate

sodium 4-[6-(nonanoylamino)hexanoyloxy]benzenesulfonate

Systemtic Name:sodium 4-[6-(nonanoylamino)hexanoyloxy]benzenesulfonate
Openeye Name:sodium 4-[6-(nonanoylamino)hexanoyloxy]benzenesulfonate
CAS Name:sodium 4-[1-oxo-6-(1-oxononylamino)hexoxy]benzenesulfonate
IUPAC Name:sodium 4-[6-(nonanoylamino)hexanoyloxy]benzenesulfonate
Traditional Name:sodium 4-[6-(pelargonylamino)hexanoyloxy]besylate
Formula: C21H32NNaO6S
MolecularWeight: 449.53665
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H33NO6S.Na/c1-2-3-4-5-6-8-11-20(23)22-17-10-7-9-12-21(24)28-18-13-15-19(16-14-18)29(25,26)27;/h13-16H,2-12,17H2,1H3,(H,22,23)(H,25,26,27);/q;+1/p-1


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