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(2-nitrophenyl)methyl hexadecane-1-sulfonate

(2-nitrophenyl)methyl hexadecane-1-sulfonate

Systemtic Name:(2-nitrophenyl)methyl hexadecane-1-sulfonate
Openeye Name:(2-nitrophenyl)methyl hexadecane-1-sulfonate
CAS Name:1-hexadecanesulfonic acid
IUPAC Name:(2-nitrophenyl)methyl hexadecane-1-sulfonate
Traditional Name:hexadecane-1-sulfonic acid (2-nitrobenzyl) ester
Formula: C23H39NO5S
MolecularWeight: 441.62446
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)OCC1=CC=CC=C1[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)OCC1=CC=CC=C1[N+](=O)[O-]


InChI

InChI=1S/C23H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30(27,28)29-21-22-18-15-16-19-23(22)24(25)26/h15-16,18-19H,2-14,17,20-21H2,1H3


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