[4-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-yl-pyridin-3-yl]-3-carboxy-4-oxidanyl-pent-1-yn-3-yl]-methoxy-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]-methoxy-oxidanylidene-phosphanium Openeye Name: [1-[1-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-isopropyl-3-pyridyl]-1-hydroxy-ethyl]-1-carboxy-prop-2-ynyl]-methoxy-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]-methoxy-oxophosphonium IUPAC Name: [4-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-propan-2-ylpyridin-3-yl]-3-carboxy-4-hydroxypent-1-yn-3-yl]-methoxy-oxophosphanium Traditional Name: [1-[1-[6-(1-adamantyl)-4-(4-fluorophenyl)-2-isopropyl-3-pyridyl]-1-hydroxy-ethyl]-1-carboxy-prop-2-ynyl]-keto-methoxy-phosphonium Formula: C31H36FNO5P+ MolecularWeight: 552.593404

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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)OC)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)OC)O

InChI

InChI=1S/C31H35FNO5P/c1-6-31(28(34)35,39(37)38-5)29(4,36)26-24(22-7-9-23(32)10-8-22)14-25(33-27(26)18(2)3)30-15-19-11-20(16-30)13-21(12-19)17-30/h1,7-10,14,18-21,36H,11-13,15-17H2,2-5H3/p+1