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2-hexanoyloxybenzenesulfonic acid; nonanamide

2-hexanoyloxybenzenesulfonic acid; nonanamide

Systemtic Name:2-hexanoyloxybenzenesulfonic acid; nonanamide
Openeye Name:2-hexanoyloxybenzenesulfonic acid; nonanamide
CAS Name:nonanamide; 2-(1-oxohexoxy)benzenesulfonic acid
IUPAC Name:2-hexanoyloxybenzenesulfonic acid; nonanamide
Traditional Name:2-caproyloxybesylic acid; pelargonamide
Formula: C21H35NO6S
MolecularWeight: 429.5707
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N.CCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)O


Isomeric SMILES

CCCCCCCCC(=O)N.CCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)O


InChI

InChI=1S/C12H16O5S.C9H19NO/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)


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