[3a-(5-chloranylthiophen-2-yl)-7-(trifluoromethyl)-3,4-dihydrochromeno[4,3-c]pyrazol-2-yl]phosphonic acid

Systemtic Name: [3a-(5-chloranylthiophen-2-yl)-7-(trifluoromethyl)-3,4-dihydrochromeno[4,3-c]pyrazol-2-yl]phosphonic acid Openeye Name: [3a-(5-chloro-2-thienyl)-7-(trifluoromethyl)-3,4-dihydrochromeno[4,3-c]pyrazol-2-yl]phosphonic acid CAS Name: [3a-(5-chloro-2-thiophenyl)-7-(trifluoromethyl)-3,4-dihydro[1]benzopyrano[4,3-c]pyrazol-2-yl]phosphonic acid IUPAC Name: [3a-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)-3,4-dihydrochromeno[4,3-c]pyrazol-2-yl]phosphonic acid Traditional Name: [3a-(5-chloro-2-thienyl)-7-(trifluoromethyl)-3,4-dihydrochromeno[4,3-c]pyrazol-2-yl]phosphonic acid Formula: C15H11ClF3N2O4PS MolecularWeight: 438.745811

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(COC3=C(C2=NN1P(=O)(O)O)C=CC(=C3)C(F)(F)F)C4=CC=C(S4)Cl

Isomeric SMILES

C1C2(COC3=C(C2=NN1P(=O)(O)O)C=CC(=C3)C(F)(F)F)C4=CC=C(S4)Cl

InChI

InChI=1S/C15H11ClF3N2O4PS/c16-12-4-3-11(27-12)14-6-21(26(22,23)24)20-13(14)9-2-1-8(15(17,18)19)5-10(9)25-7-14/h1-5H,6-7H2,(H2,22,23,24)