methoxy-(4-methyl-2-nitro-5-pyridin-2-ylsulfanyl-phenyl)-oxidanylidene-phosphanium

Systemtic Name: methoxy-(4-methyl-2-nitro-5-pyridin-2-ylsulfanyl-phenyl)-oxidanylidene-phosphanium Openeye Name: methoxy-[4-methyl-2-nitro-5-(2-pyridylsulfanyl)phenyl]-oxo-phosphonium CAS Name: methoxy-[4-methyl-2-nitro-5-(2-pyridinylthio)phenyl]-oxophosphonium IUPAC Name: methoxy-(4-methyl-2-nitro-5-pyridin-2-ylsulfanylphenyl)-oxophosphanium Traditional Name: keto-methoxy-[4-methyl-2-nitro-5-(2-pyridylthio)phenyl]phosphonium Formula: C13H12N2O4PS+ MolecularWeight: 323.284141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SC2=CC=CC=N2)[P+](=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1SC2=CC=CC=N2)[P+](=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4PS/c1-9-7-10(15(16)17)11(20(18)19-2)8-12(9)21-13-5-3-4-6-14-13/h3-8H,1-2H3/q+1