(5-nitro-4-oxidanyl-2-pentadecyl-phenyl) methanesulfonate

Systemtic Name: (5-nitro-4-oxidanyl-2-pentadecyl-phenyl) methanesulfonate Openeye Name: (4-hydroxy-5-nitro-2-pentadecyl-phenyl) methanesulfonate CAS Name: methanesulfonic acid (4-hydroxy-5-nitro-2-pentadecylphenyl) ester IUPAC Name: (4-hydroxy-5-nitro-2-pentadecylphenyl) methanesulfonate Traditional Name: methanesulfonic acid (4-hydroxy-5-nitro-2-pentadecyl-phenyl) ester Formula: C22H37NO6S MolecularWeight: 443.59728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=C(C=C1OS(=O)(=O)C)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=C(C=C1OS(=O)(=O)C)[N+](=O)[O-])O

InChI

InChI=1S/C22H37NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-21(24)20(23(25)26)18-22(19)29-30(2,27)28/h17-18,24H,3-16H2,1-2H3