[3-carboxy-4-[(4-fluorophenyl)-(5-methyl-6-phenyl-pyridin-3-yl)methyl]-2-methyl-4-oxidanyl-hex-5-en-3-yl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [3-carboxy-4-[(4-fluorophenyl)-(5-methyl-6-phenyl-pyridin-3-yl)methyl]-2-methyl-4-oxidanyl-hex-5-en-3-yl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [1-carboxy-2-[(4-fluorophenyl)-(5-methyl-6-phenyl-3-pyridyl)methyl]-2-hydroxy-1-isopropyl-but-3-enyl]-hydroxy-oxo-phosphonium CAS Name: [3-carboxy-4-[(4-fluorophenyl)-(5-methyl-6-phenyl-3-pyridinyl)methyl]-4-hydroxy-2-methylhex-5-en-3-yl]-hydroxy-oxophosphonium IUPAC Name: [3-carboxy-4-[(4-fluorophenyl)-(5-methyl-6-phenylpyridin-3-yl)methyl]-4-hydroxy-2-methylhex-5-en-3-yl]-hydroxy-oxophosphanium Traditional Name: [1-carboxy-2-[(4-fluorophenyl)-(5-methyl-6-phenyl-3-pyridyl)methyl]-2-hydroxy-1-isopropyl-but-3-enyl]-hydroxy-keto-phosphonium Formula: C27H28FNO5P+ MolecularWeight: 496.487084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)C(C2=CC=C(C=C2)F)C(C=C)(C(C(C)C)(C(=O)O)[P+](=O)O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CC(=C1)C(C2=CC=C(C=C2)F)C(C=C)(C(C(C)C)(C(=O)O)[P+](=O)O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H26FNO5P/c1-5-26(32,27(17(2)3,25(30)31)35(33)34)23(19-11-13-22(28)14-12-19)21-15-18(4)24(29-16-21)20-9-7-6-8-10-20/h5-17,23,32H,1H2,2-4H3/q-1/p+2