(4-chloranyl-5-ethylsulfanyl-1-hexyl-1-methyl-pyrazol-1-ium-3-yl)-hexoxy-phosphinic acid

Systemtic Name: (4-chloranyl-5-ethylsulfanyl-1-hexyl-1-methyl-pyrazol-1-ium-3-yl)-hexoxy-phosphinic acid Openeye Name: (4-chloro-5-ethylsulfanyl-1-hexyl-1-methyl-pyrazol-1-ium-3-yl)-hexoxy-phosphinic acid CAS Name: [4-chloro-5-(ethylthio)-1-hexyl-1-methyl-3-pyrazol-1-iumyl]-hexoxyphosphinic acid IUPAC Name: (4-chloro-5-ethylsulfanyl-1-hexyl-1-methylpyrazol-1-ium-3-yl)-hexoxyphosphinic acid Traditional Name: [4-chloro-5-(ethylthio)-1-hexyl-1-methyl-pyrazol-1-ium-3-yl]-hexoxy-phosphinic acid Formula: C18H35ClN2O3PS+ MolecularWeight: 425.973861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C(=C(C(=N1)P(=O)(O)OCCCCCC)Cl)SCC)C

Isomeric SMILES

CCCCCC[N+]1(C(=C(C(=N1)P(=O)(O)OCCCCCC)Cl)SCC)C

InChI

InChI=1S/C18H34ClN2O3PS/c1-5-8-10-12-14-21(4)18(26-7-3)16(19)17(20-21)25(22,23)24-15-13-11-9-6-2/h5-15H2,1-4H3/p+1