(E)-6-[2-(methylsulfonyloxy-phenyl-pyridin-2-yl-methyl)-1,3-dioxan-5-yl]hex-2-enoic acid

Systemtic Name: (E)-6-[2-(methylsulfonyloxy-phenyl-pyridin-2-yl-methyl)-1,3-dioxan-5-yl]hex-2-enoic acid Openeye Name: (E)-6-[2-[methylsulfonyloxy-phenyl-(2-pyridyl)methyl]-1,3-dioxan-5-yl]hex-2-enoic acid CAS Name: (E)-6-[2-[methylsulfonyloxy-phenyl-(2-pyridinyl)methyl]-1,3-dioxan-5-yl]-2-hexenoic acid IUPAC Name: (E)-6-[2-(methylsulfonyloxy-phenyl-pyridin-2-ylmethyl)-1,3-dioxan-5-yl]hex-2-enoic acid Traditional Name: (E)-6-[2-[methylsulfonyloxy-phenyl-(2-pyridyl)methyl]-1,3-dioxan-5-yl]hex-2-enoic acid Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(C1OCC(CO1)CCCC=CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)OC(C1OCC(CO1)CCC/C=C/C(=O)O)(C2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C23H27NO7S/c1-32(27,28)31-23(19-11-5-3-6-12-19,20-13-8-9-15-24-20)22-29-16-18(17-30-22)10-4-2-7-14-21(25)26/h3,5-9,11-15,18,22H,2,4,10,16-17H2,1H3,(H,25,26)/b14-7+