[4-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-yl-pyridin-3-yl]-3-carboxy-4-oxidanyl-pent-1-yn-3-yl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [4-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-yl-pyridin-3-yl]-3-carboxy-4-oxidanyl-pent-1-yn-3-yl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [1-[1-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-isopropyl-3-pyridyl]-1-hydroxy-ethyl]-1-carboxy-prop-2-ynyl]-hydroxy-oxo-phosphonium CAS Name: [4-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]-3-carboxy-4-hydroxypent-1-yn-3-yl]-hydroxy-oxophosphonium IUPAC Name: [4-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-ylpyridin-3-yl]-3-carboxy-4-hydroxypent-1-yn-3-yl]-hydroxy-oxophosphanium Traditional Name: [1-[1-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-isopropyl-3-pyridyl]-1-hydroxy-ethyl]-1-carboxy-prop-2-ynyl]-hydroxy-keto-phosphonium Formula: C30H34FNO5P+ MolecularWeight: 538.566824

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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(C)(C(C#C)(C(=O)O)[P+](=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H32FNO5P/c1-5-30(27(33)34,38(36)37)28(4,35)25-23(21-6-8-22(31)9-7-21)13-24(32-26(25)17(2)3)29-14-18-10-19(15-29)12-20(11-18)16-29/h1,6-9,13,17-20,35H,10-12,14-16H2,2-4H3/q-1/p+2