[3-carboxy-6-methyl-4-oxidanyl-4-(6-phenylpyridin-3-yl)hept-1-yn-3-yl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [3-carboxy-6-methyl-4-oxidanyl-4-(6-phenylpyridin-3-yl)hept-1-yn-3-yl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [1-carboxy-1-ethynyl-2-hydroxy-4-methyl-2-(6-phenyl-3-pyridyl)pentyl]-hydroxy-oxo-phosphonium CAS Name: [3-carboxy-4-hydroxy-6-methyl-4-(6-phenyl-3-pyridinyl)hept-1-yn-3-yl]-hydroxy-oxophosphonium IUPAC Name: [3-carboxy-4-hydroxy-6-methyl-4-(6-phenylpyridin-3-yl)hept-1-yn-3-yl]-hydroxy-oxophosphanium Traditional Name: [1-carboxy-1-[1-hydroxy-3-methyl-1-(6-phenyl-3-pyridyl)butyl]prop-2-ynyl]-hydroxy-keto-phosphonium Formula: C20H21NO5P+ MolecularWeight: 386.358201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CN=C(C=C1)C2=CC=CC=C2)(C(C#C)(C(=O)O)[P+](=O)O)O

Isomeric SMILES

CC(C)CC(C1=CN=C(C=C1)C2=CC=CC=C2)(C(C#C)(C(=O)O)[P+](=O)O)O

InChI

InChI=1S/C20H19NO5P/c1-4-20(18(22)23,27(25)26)19(24,12-14(2)3)16-10-11-17(21-13-16)15-8-6-5-7-9-15/h1,5-11,13-14,24H,12H2,2-3H3/q-1/p+2