[4-[2-[[5-(dodecylsulfamoyl)-2-nitro-phenyl]amino]-2-oxidanylidene-ethyl]phenyl] 4-oxidanylbenzenesulfinate

Systemtic Name: [4-[2-[[5-(dodecylsulfamoyl)-2-nitro-phenyl]amino]-2-oxidanylidene-ethyl]phenyl] 4-oxidanylbenzenesulfinate Openeye Name: [4-[2-[5-(dodecylsulfamoyl)-2-nitro-anilino]-2-oxo-ethyl]phenyl] 4-hydroxybenzenesulfinate CAS Name: 4-hydroxybenzenesulfinic acid [4-[2-[5-(dodecylsulfamoyl)-2-nitroanilino]-2-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(dodecylsulfamoyl)-2-nitroanilino]-2-oxoethyl]phenyl] 4-hydroxybenzenesulfinate Traditional Name: 4-hydroxybenzenesulfinic acid [4-[2-keto-2-[5-(laurylsulfamoyl)-2-nitro-anilino]ethyl]phenyl] ester Formula: C32H41N3O8S2 MolecularWeight: 659.81324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNS(=O)(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CC=C(C=C2)OS(=O)C3=CC=C(C=C3)O

Isomeric SMILES

CCCCCCCCCCCCNS(=O)(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CC2=CC=C(C=C2)OS(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C32H41N3O8S2/c1-2-3-4-5-6-7-8-9-10-11-22-33-45(41,42)29-20-21-31(35(38)39)30(24-29)34-32(37)23-25-12-16-27(17-13-25)43-44(40)28-18-14-26(36)15-19-28/h12-21,24,33,36H,2-11,22-23H2,1H3,(H,34,37)