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

Systemtic Name: [3-carboxy-4-[4-(4-fluoranyl-2-methyl-phenyl)-6-phenyl-2-propan-2-yl-pyridin-3-yl]-4-oxidanyl-pent-1-yn-3-yl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [1-carboxy-1-[1-[4-(4-fluoro-2-methyl-phenyl)-2-isopropyl-6-phenyl-3-pyridyl]-1-hydroxy-ethyl]prop-2-ynyl]-hydroxy-oxo-phosphonium CAS Name: [3-carboxy-4-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]-4-hydroxypent-1-yn-3-yl]-hydroxy-oxophosphonium IUPAC Name: [3-carboxy-4-[4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridin-3-yl]-4-hydroxypent-1-yn-3-yl]-hydroxy-oxophosphanium Traditional Name: [1-carboxy-1-[1-[4-(4-fluoro-2-methyl-phenyl)-2-isopropyl-6-phenyl-3-pyridyl]-1-hydroxy-ethyl]prop-2-ynyl]-hydroxy-keto-phosphonium Formula: C27H26FNO5P+ MolecularWeight: 494.471204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=CC(=NC(=C2C(C)(C(C#C)(C(=O)O)[P+](=O)O)O)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=CC(=NC(=C2C(C)(C(C#C)(C(=O)O)[P+](=O)O)O)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H24FNO5P/c1-6-27(25(30)31,35(33)34)26(5,32)23-21(20-13-12-19(28)14-17(20)4)15-22(29-24(23)16(2)3)18-10-8-7-9-11-18/h1,7-16,32H,2-5H3/q-1/p+2