(5-chloranyl-2-methyl-2-propan-2-ylsulfanyl-pyrazol-2-ium-3-yl) ethyl hydrogen phosphate

Systemtic Name: (5-chloranyl-2-methyl-2-propan-2-ylsulfanyl-pyrazol-2-ium-3-yl) ethyl hydrogen phosphate Openeye Name: (5-chloro-2-isopropylsulfanyl-2-methyl-pyrazol-2-ium-3-yl) ethyl hydrogen phosphate CAS Name: [5-chloro-2-methyl-2-(propan-2-ylthio)-3-pyrazol-2-iumyl] ethyl hydrogen phosphate IUPAC Name: (5-chloro-2-methyl-2-propan-2-ylsulfanylpyrazol-2-ium-3-yl) ethyl hydrogen phosphate Traditional Name: [5-chloro-2-(isopropylthio)-2-methyl-pyrazol-2-ium-3-yl] ethyl hydrogen phosphate Formula: C9H17ClN2O4PS+ MolecularWeight: 315.734041

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(O)OC1=CC(=N[N+]1(C)SC(C)C)Cl

Isomeric SMILES

CCOP(=O)(O)OC1=CC(=N[N+]1(C)SC(C)C)Cl

InChI

InChI=1S/C9H16ClN2O4PS/c1-5-15-17(13,14)16-9-6-8(10)11-12(9,4)18-7(2)3/h6-7H,5H2,1-4H3/p+1