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(2-nitrophenyl)methyl 4,5-dimethoxyhexadecane-1-sulfonate

(2-nitrophenyl)methyl 4,5-dimethoxyhexadecane-1-sulfonate

Systemtic Name:(2-nitrophenyl)methyl 4,5-dimethoxyhexadecane-1-sulfonate
Openeye Name:(2-nitrophenyl)methyl 4,5-dimethoxyhexadecane-1-sulfonate
CAS Name:4,5-dimethoxy-1-hexadecanesulfonic acid
IUPAC Name:(2-nitrophenyl)methyl 4,5-dimethoxyhexadecane-1-sulfonate
Traditional Name:4,5-dimethoxyhexadecane-1-sulfonic acid (2-nitrobenzyl) ester
Formula: C25H43NO7S
MolecularWeight: 501.67642
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(CCCS(=O)(=O)OCC1=CC=CC=C1[N+](=O)[O-])OC)OC


Isomeric SMILES

CCCCCCCCCCCC(C(CCCS(=O)(=O)OCC1=CC=CC=C1[N+](=O)[O-])OC)OC


InChI

InChI=1S/C25H43NO7S/c1-4-5-6-7-8-9-10-11-12-18-24(31-2)25(32-3)19-15-20-34(29,30)33-21-22-16-13-14-17-23(22)26(27)28/h13-14,16-17,24-25H,4-12,15,18-21H2,1-3H3


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