3-(2,6-dimethanoylpyridin-4-yl)sulfanylpropyl-triphenyl-phosphanium

Systemtic Name: 3-(2,6-dimethanoylpyridin-4-yl)sulfanylpropyl-triphenyl-phosphanium Openeye Name: 3-[(2,6-diformyl-4-pyridyl)sulfanyl]propyl-triphenyl-phosphonium CAS Name: 3-[(2,6-diformyl-4-pyridinyl)thio]propyl-triphenylphosphonium IUPAC Name: 3-(2,6-diformylpyridin-4-yl)sulfanylpropyl-triphenylphosphanium Traditional Name: 3-[(2,6-diformyl-4-pyridyl)thio]propyl-triphenyl-phosphonium Formula: C28H25NO2PS+ MolecularWeight: 470.542361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCCSC2=CC(=NC(=C2)C=O)C=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCCSC2=CC(=NC(=C2)C=O)C=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO2PS/c30-21-23-19-28(20-24(22-31)29-23)33-18-10-17-32(25-11-4-1-5-12-25,26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,19-22H,10,17-18H2/q+1