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

Systemtic Name: [3-carboxy-6-methyl-4-oxidanyl-4-(6-phenylpyridin-3-yl)hept-1-yn-3-yl]-methoxy-oxidanylidene-phosphanium Openeye Name: [1-carboxy-1-ethynyl-2-hydroxy-4-methyl-2-(6-phenyl-3-pyridyl)pentyl]-methoxy-oxo-phosphonium CAS Name: [3-carboxy-4-hydroxy-6-methyl-4-(6-phenyl-3-pyridinyl)hept-1-yn-3-yl]-methoxy-oxophosphonium IUPAC Name: [3-carboxy-4-hydroxy-6-methyl-4-(6-phenylpyridin-3-yl)hept-1-yn-3-yl]-methoxy-oxophosphanium Traditional Name: [1-carboxy-1-[1-hydroxy-3-methyl-1-(6-phenyl-3-pyridyl)butyl]prop-2-ynyl]-keto-methoxy-phosphonium Formula: C21H23NO5P+ MolecularWeight: 400.384781

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO5P/c1-5-21(19(23)24,28(26)27-4)20(25,13-15(2)3)17-11-12-18(22-14-17)16-9-7-6-8-10-16/h1,6-12,14-15,25H,13H2,2-4H3/p+1