[3-carboxy-4-[5-fluoranyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-pyridin-3-yl]-4-oxidanyl-pent-1-yn-3-yl]-methoxy-oxidanylidene-phosphanium

Systemtic Name: [3-carboxy-4-[5-fluoranyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-pyridin-3-yl]-4-oxidanyl-pent-1-yn-3-yl]-methoxy-oxidanylidene-phosphanium Openeye Name: [1-carboxy-1-[1-[5-fluoro-4-(4-fluorophenyl)-2-isopropyl-6-phenyl-3-pyridyl]-1-hydroxy-ethyl]prop-2-ynyl]-methoxy-oxo-phosphonium CAS Name: [3-carboxy-4-[5-fluoro-4-(4-fluorophenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]-4-hydroxypent-1-yn-3-yl]-methoxy-oxophosphonium IUPAC Name: [3-carboxy-4-[5-fluoro-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridin-3-yl]-4-hydroxypent-1-yn-3-yl]-methoxy-oxophosphanium Traditional Name: [1-carboxy-1-[1-[5-fluoro-4-(4-fluorophenyl)-2-isopropyl-6-phenyl-3-pyridyl]-1-hydroxy-ethyl]prop-2-ynyl]-keto-methoxy-phosphonium Formula: C27H25F2NO5P+ MolecularWeight: 512.461667

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C(=C1C(C)(C(C#C)(C(=O)O)[P+](=O)OC)O)C2=CC=C(C=C2)F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=C(C(=C1C(C)(C(C#C)(C(=O)O)[P+](=O)OC)O)C2=CC=C(C=C2)F)F)C3=CC=CC=C3

InChI

InChI=1S/C27H24F2NO5P/c1-6-27(25(31)32,36(34)35-5)26(4,33)21-20(17-12-14-19(28)15-13-17)22(29)24(30-23(21)16(2)3)18-10-8-7-9-11-18/h1,7-16,33H,2-5H3/p+1