[3-carboxy-4-[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-pyridin-3-yl]-4-oxidanyl-pent-1-yn-3-yl]-methoxy-oxidanylidene-phosphanium

Systemtic Name: [3-carboxy-4-[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-pyridin-3-yl]-4-oxidanyl-pent-1-yn-3-yl]-methoxy-oxidanylidene-phosphanium Openeye Name: [1-carboxy-1-[1-[4-(4-fluorophenyl)-2-isopropyl-6-(2-thienyl)-3-pyridyl]-1-hydroxy-ethyl]prop-2-ynyl]-methoxy-oxo-phosphonium CAS Name: [3-carboxy-4-[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-3-pyridinyl]-4-hydroxypent-1-yn-3-yl]-methoxy-oxophosphonium IUPAC Name: [3-carboxy-4-[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridin-3-yl]-4-hydroxypent-1-yn-3-yl]-methoxy-oxophosphanium Traditional Name: [1-carboxy-1-[1-[4-(4-fluorophenyl)-2-isopropyl-6-(2-thienyl)-3-pyridyl]-1-hydroxy-ethyl]prop-2-ynyl]-keto-methoxy-phosphonium Formula: C25H24FNO5PS+ MolecularWeight: 500.498924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F)C(C)(C(C#C)(C(=O)O)[P+](=O)OC)O

Isomeric SMILES

CC(C)C1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F)C(C)(C(C#C)(C(=O)O)[P+](=O)OC)O

InChI

InChI=1S/C25H23FNO5PS/c1-6-25(23(28)29,33(31)32-5)24(4,30)21-18(16-9-11-17(26)12-10-16)14-19(20-8-7-13-34-20)27-22(21)15(2)3/h1,7-15,30H,2-5H3/p+1