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phenyl 6-(decanoylamino)hexanoate; sulfuric acid

phenyl 6-(decanoylamino)hexanoate; sulfuric acid

Systemtic Name:phenyl 6-(decanoylamino)hexanoate; sulfuric acid
Openeye Name:phenyl 6-(decanoylamino)hexanoate; sulfuric acid
CAS Name:6-(1-oxodecylamino)hexanoic acid phenyl ester; sulfuric acid
IUPAC Name:phenyl 6-(decanoylamino)hexanoate; sulfuric acid
Traditional Name:6-(caprylamino)hexanoic acid phenyl ester; sulfuric acid
Formula: C22H37NO7S
MolecularWeight: 459.59668
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCCCCCC(=O)OC1=CC=CC=C1.OS(=O)(=O)O


Isomeric SMILES

CCCCCCCCCC(=O)NCCCCCC(=O)OC1=CC=CC=C1.OS(=O)(=O)O


InChI

InChI=1S/C22H35NO3.H2O4S/c1-2-3-4-5-6-7-12-17-21(24)23-19-14-9-13-18-22(25)26-20-15-10-8-11-16-20;1-5(2,3)4/h8,10-11,15-16H,2-7,9,12-14,17-19H2,1H3,(H,23,24);(H2,1,2,3,4)


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