(6-nitro-3H-1,2-benzodioxol-5-yl)methyl hexadecane-1-sulfonate

Systemtic Name: (6-nitro-3H-1,2-benzodioxol-5-yl)methyl hexadecane-1-sulfonate Openeye Name: (6-nitro-3H-1,2-benzodioxol-5-yl)methyl hexadecane-1-sulfonate CAS Name: 1-hexadecanesulfonic acid IUPAC Name: (6-nitro-3H-1,2-benzodioxol-5-yl)methyl hexadecane-1-sulfonate Traditional Name: hexadecane-1-sulfonic acid (6-nitro-3H-1,2-benzodioxol-5-yl)methyl ester Formula: C24H39NO7S MolecularWeight: 485.63396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)OCC1=C(C=C2C(=C1)COO2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)OCC1=C(C=C2C(=C1)COO2)[N+](=O)[O-]

InChI

InChI=1S/C24H39NO7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(28,29)31-20-21-17-22-19-30-32-24(22)18-23(21)25(26)27/h17-18H,2-16,19-20H2,1H3