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sodium; 2-hexanoyloxybenzenesulfonate; nonanamide

sodium; 2-hexanoyloxybenzenesulfonate; nonanamide

Systemtic Name:sodium; 2-hexanoyloxybenzenesulfonate; nonanamide
Openeye Name:sodium; 2-hexanoyloxybenzenesulfonate; nonanamide
CAS Name:sodium; nonanamide; 2-(1-oxohexoxy)benzenesulfonate
IUPAC Name:sodium; 2-hexanoyloxybenzenesulfonate; nonanamide
Traditional Name:sodium; 2-caproyloxybesylate; pelargonamide
Formula: C21H34NNaO6S
MolecularWeight: 451.55253
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N.CCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CCCCCCCCC(=O)N.CCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C12H16O5S.C9H19NO.Na/c1-2-3-4-9-12(13)17-10-7-5-6-8-11(10)18(14,15)16;1-2-3-4-5-6-7-8-9(10)11;/h5-8H,2-4,9H2,1H3,(H,14,15,16);2-8H2,1H3,(H2,10,11);/q;;+1/p-1


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