[3-carboxy-4-[4-(3,5-dimethylphenyl)-6-phenyl-2-propan-2-yl-pyridin-3-yl]-4-oxidanyl-pent-1-yn-3-yl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [3-carboxy-4-[4-(3,5-dimethylphenyl)-6-phenyl-2-propan-2-yl-pyridin-3-yl]-4-oxidanyl-pent-1-yn-3-yl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [1-carboxy-1-[1-[4-(3,5-dimethylphenyl)-2-isopropyl-6-phenyl-3-pyridyl]-1-hydroxy-ethyl]prop-2-ynyl]-hydroxy-oxo-phosphonium CAS Name: [3-carboxy-4-[4-(3,5-dimethylphenyl)-6-phenyl-2-propan-2-yl-3-pyridinyl]-4-hydroxypent-1-yn-3-yl]-hydroxy-oxophosphonium IUPAC Name: [3-carboxy-4-[4-(3,5-dimethylphenyl)-6-phenyl-2-propan-2-ylpyridin-3-yl]-4-hydroxypent-1-yn-3-yl]-hydroxy-oxophosphanium Traditional Name: [1-carboxy-1-[1-[4-(3,5-dimethylphenyl)-2-isopropyl-6-phenyl-3-pyridyl]-1-hydroxy-ethyl]prop-2-ynyl]-hydroxy-keto-phosphonium Formula: C28H29NO5P+ MolecularWeight: 490.507321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=NC(=C2C(C)(C(C#C)(C(=O)O)[P+](=O)O)O)C(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=NC(=C2C(C)(C(C#C)(C(=O)O)[P+](=O)O)O)C(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C28H27NO5P/c1-7-28(26(30)31,35(33)34)27(6,32)24-22(21-14-18(4)13-19(5)15-21)16-23(29-25(24)17(2)3)20-11-9-8-10-12-20/h1,8-17,32H,2-6H3/q-1/p+2