[4-[4-tert-butyl-2-(4-fluorophenyl)quinolin-3-yl]-3-carboxy-4-oxidanyl-pent-1-yn-3-yl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [4-[4-tert-butyl-2-(4-fluorophenyl)quinolin-3-yl]-3-carboxy-4-oxidanyl-pent-1-yn-3-yl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [1-[1-[4-tert-butyl-2-(4-fluorophenyl)-3-quinolyl]-1-hydroxy-ethyl]-1-carboxy-prop-2-ynyl]-hydroxy-oxo-phosphonium CAS Name: [4-[4-tert-butyl-2-(4-fluorophenyl)-3-quinolinyl]-3-carboxy-4-hydroxypent-1-yn-3-yl]-hydroxy-oxophosphonium IUPAC Name: [4-[4-tert-butyl-2-(4-fluorophenyl)quinolin-3-yl]-3-carboxy-4-hydroxypent-1-yn-3-yl]-hydroxy-oxophosphanium Traditional Name: [1-[1-[4-tert-butyl-2-(4-fluorophenyl)-3-quinolyl]-1-hydroxy-ethyl]-1-carboxy-prop-2-ynyl]-hydroxy-keto-phosphonium Formula: C25H24FNO5P+ MolecularWeight: 468.433924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NC2=CC=CC=C21)C3=CC=C(C=C3)F)C(C)(C(C#C)(C(=O)O)[P+](=O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C(=NC2=CC=CC=C21)C3=CC=C(C=C3)F)C(C)(C(C#C)(C(=O)O)[P+](=O)O)O

InChI

InChI=1S/C25H22FNO5P/c1-6-25(22(28)29,33(31)32)24(5,30)20-19(23(2,3)4)17-9-7-8-10-18(17)27-21(20)15-11-13-16(26)14-12-15/h1,7-14,30H,2-5H3/q-1/p+2