4-methylbenzenesulfonate; [(2S)-2-oxidanyl-2-[(1S,2S)-2-[(2R)-6-oxidanylideneoxan-2-yl]cyclopropyl]ethyl]-triphenyl-phosphanium

Systemtic Name: 4-methylbenzenesulfonate; [(2S)-2-oxidanyl-2-[(1S,2S)-2-[(2R)-6-oxidanylideneoxan-2-yl]cyclopropyl]ethyl]-triphenyl-phosphanium Openeye Name: [(2S)-2-hydroxy-2-[(1S,2S)-2-[(2R)-6-oxotetrahydropyran-2-yl]cyclopropyl]ethyl]-triphenyl-phosphonium; 4-methylbenzenesulfonate CAS Name: [(2S)-2-hydroxy-2-[(1S,2S)-2-[(2R)-6-oxo-2-oxanyl]cyclopropyl]ethyl]-triphenylphosphonium; 4-methylbenzenesulfonate IUPAC Name: [(2S)-2-hydroxy-2-[(1S,2S)-2-[(2R)-6-oxooxan-2-yl]cyclopropyl]ethyl]-triphenylphosphanium; 4-methylbenzenesulfonate Traditional Name: [(2S)-2-hydroxy-2-[(1S,2S)-2-[(2R)-6-ketotetrahydropyran-2-yl]cyclopropyl]ethyl]-triphenyl-phosphonium tosylate Formula: C35H37O6PS MolecularWeight: 616.703441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(OC(=O)C1)C2CC2C(C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[C@@H](OC(=O)C1)[C@H]2C[C@@H]2[C@@H](C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C28H30O3P.C7H8O3S/c29-26(24-19-25(24)27-17-10-18-28(30)31-27)20-32(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,11-16,24-27,29H,10,17-20H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t24-,25-,26+,27+;/m0./s1