[3-carboxy-4-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]-4-oxidanyl-pent-1-yn-3-yl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [3-carboxy-4-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]-4-oxidanyl-pent-1-yn-3-yl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [1-carboxy-1-[1-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]-1-hydroxy-ethyl]prop-2-ynyl]-hydroxy-oxo-phosphonium CAS Name: [3-carboxy-4-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]-4-hydroxypent-1-yn-3-yl]-hydroxy-oxophosphonium IUPAC Name: [3-carboxy-4-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]-4-hydroxypent-1-yn-3-yl]-hydroxy-oxophosphanium Traditional Name: [1-carboxy-1-[1-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]-1-hydroxy-ethyl]prop-2-ynyl]-hydroxy-keto-phosphonium Formula: C21H21FO5P+ MolecularWeight: 403.360604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)C(C)(C(C#C)(C(=O)O)[P+](=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)C(C)(C(C#C)(C(=O)O)[P+](=O)O)O)C

InChI

InChI=1S/C21H19FO5P/c1-6-21(19(23)24,28(26)27)20(5,25)18-14(4)9-12(2)10-16(18)15-7-8-17(22)13(3)11-15/h1,7-11,25H,2-5H3/q-1/p+2