[4,4-dimethyl-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]-triphenyl-phosphanium; 4-nitrobenzoate

Systemtic Name: [4,4-dimethyl-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]-triphenyl-phosphanium; 4-nitrobenzoate Openeye Name: (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-triphenyl-phosphonium; 4-nitrobenzoate CAS Name: (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-triphenylphosphonium; 4-nitrobenzoate IUPAC Name: (4,4-dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-triphenylphosphanium; 4-nitrobenzoate Traditional Name: (1,1-diketo-4,4-dimethyl-1,2,5-thiadiazolidin-2-yl)-triphenyl-phosphonium; 4-nitrobenzoate Formula: C29H28N3O6PS MolecularWeight: 577.587881

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(S(=O)(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1(CN(S(=O)(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O2PS.C7H5NO4/c1-22(2)18-24(28(25,26)23-22)27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;9-7(10)5-1-3-6(4-2-5)8(11)12/h3-17,23H,18H2,1-2H3;1-4H,(H,9,10)/q+1;/p-1