(2-nitrophenyl)methyl 3,4,5-trimethoxyhexadecane-1-sulfonate

Systemtic Name: (2-nitrophenyl)methyl 3,4,5-trimethoxyhexadecane-1-sulfonate Openeye Name: (2-nitrophenyl)methyl 3,4,5-trimethoxyhexadecane-1-sulfonate CAS Name: 3,4,5-trimethoxy-1-hexadecanesulfonic acid IUPAC Name: (2-nitrophenyl)methyl 3,4,5-trimethoxyhexadecane-1-sulfonate Traditional Name: 3,4,5-trimethoxyhexadecane-1-sulfonic acid (2-nitrobenzyl) ester Formula: C26H45NO8S MolecularWeight: 531.7024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45NO8S/c1-5-6-7-8-9-10-11-12-13-18-24(32-2)26(34-4)25(33-3)19-20-36(30,31)35-21-22-16-14-15-17-23(22)27(28)29/h14-17,24-26H,5-13,18-21H2,1-4H3