3-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-yl-pyridin-3-yl]prop-2-ynoxy-[2-[tert-butyl(diphenyl)silyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-oxidanylidene-phosphanium

Systemtic Name: 3-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-yl-pyridin-3-yl]prop-2-ynoxy-[2-[tert-butyl(diphenyl)silyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-oxidanylidene-phosphanium Openeye Name: 3-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-isopropyl-3-pyridyl]prop-2-ynoxy-[2-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-4-oxo-butyl]-oxo-phosphonium CAS Name: 3-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]prop-2-ynoxy-[2-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-4-oxobutyl]-oxophosphonium IUPAC Name: 3-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-ylpyridin-3-yl]prop-2-ynoxy-[2-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-4-oxobutyl]-oxophosphanium Traditional Name: 3-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-isopropyl-3-pyridyl]prop-2-ynoxy-[2-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-4-keto-butyl]-keto-phosphonium Formula: C47H54FNO5PSi+ MolecularWeight: 790.993024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)F)C#CCO[P+](=O)CC(CC(=O)O)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C

Isomeric SMILES

CC(C)C1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)F)C#CCO[P+](=O)CC(CC(=O)O)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C

InChI

InChI=1S/C47H53FNO5PSi/c1-32(2)45-41(42(36-18-20-37(48)21-19-36)27-43(49-45)47-28-33-23-34(29-47)25-35(24-33)30-47)17-12-22-53-55(52)31-38(26-44(50)51)54-56(46(3,4)5,39-13-8-6-9-14-39)40-15-10-7-11-16-40/h6-11,13-16,18-21,27,32-35,38H,22-26,28-31H2,1-5H3/p+1