(2-nitro-4-oxidanyl-phenyl) 4-dodecylbenzenesulfonate

Systemtic Name: (2-nitro-4-oxidanyl-phenyl) 4-dodecylbenzenesulfonate Openeye Name: (4-hydroxy-2-nitro-phenyl) 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid (4-hydroxy-2-nitrophenyl) ester IUPAC Name: (4-hydroxy-2-nitrophenyl) 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid (4-hydroxy-2-nitro-phenyl) ester Formula: C24H33NO6S MolecularWeight: 463.58692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C24H33NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-16-22(17-14-20)32(29,30)31-24-18-15-21(26)19-23(24)25(27)28/h13-19,26H,2-12H2,1H3