(2-nitrophenyl)methyl tetradecane-1-sulfonate

Systemtic Name: (2-nitrophenyl)methyl tetradecane-1-sulfonate Openeye Name: (2-nitrophenyl)methyl tetradecane-1-sulfonate CAS Name: 1-tetradecanesulfonic acid IUPAC Name: (2-nitrophenyl)methyl tetradecane-1-sulfonate Traditional Name: tetradecane-1-sulfonic acid (2-nitrobenzyl) ester Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-28(25,26)27-19-20-16-13-14-17-21(20)22(23)24/h13-14,16-17H,2-12,15,18-19H2,1H3