[3-carboxy-4-[4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-yl-pyridin-3-yl]-4-oxidanyl-pent-1-yn-3-yl]-oxidanyl-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]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [1-carboxy-1-[1-[4-(4-fluorophenyl)-2-isopropyl-6-(2-thienyl)-3-pyridyl]-1-hydroxy-ethyl]prop-2-ynyl]-hydroxy-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]-hydroxy-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]-hydroxy-oxophosphanium Traditional Name: [1-carboxy-1-[1-[4-(4-fluorophenyl)-2-isopropyl-6-(2-thienyl)-3-pyridyl]-1-hydroxy-ethyl]prop-2-ynyl]-hydroxy-keto-phosphonium Formula: C24H22FNO5PS+ MolecularWeight: 486.472344

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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)O)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)O)O

InChI

InChI=1S/C24H20FNO5PS/c1-5-24(22(27)28,32(30)31)23(4,29)20-17(15-8-10-16(25)11-9-15)13-18(19-7-6-12-33-19)26-21(20)14(2)3/h1,6-14,29H,2-4H3/q-1/p+2