[2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-[3-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-pyridin-3-yl]prop-2-ynoxy]-oxidanylidene-phosphanium

Systemtic Name: [2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-[3-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-pyridin-3-yl]prop-2-ynoxy]-oxidanylidene-phosphanium Openeye Name: (2,4-dihydroxy-4-oxo-butyl)-[3-[2-(4-fluorophenyl)-4-isopropyl-6-phenyl-3-pyridyl]prop-2-ynoxy]-oxo-phosphonium CAS Name: (2,4-dihydroxy-4-oxobutyl)-[3-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-ynoxy]-oxophosphonium IUPAC Name: (2,4-dihydroxy-4-oxobutyl)-[3-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridin-3-yl]prop-2-ynoxy]-oxophosphanium Traditional Name: (2,4-dihydroxy-4-keto-butyl)-[3-[2-(4-fluorophenyl)-4-isopropyl-6-phenyl-3-pyridyl]prop-2-ynoxy]-keto-phosphonium Formula: C27H26FNO5P+ MolecularWeight: 494.471204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25FNO5P/c1-18(2)24-16-25(19-7-4-3-5-8-19)29-27(20-10-12-21(28)13-11-20)23(24)9-6-14-34-35(33)17-22(30)15-26(31)32/h3-5,7-8,10-13,16,18,22,30H,14-15,17H2,1-2H3/p+1