2-[3-acetamido-6-(hydroxymethyl)-4-oxidanyl-5-[(E)-3-phenylprop-2-enoxy]oxan-2-yl]oxybenzenesulfonic acid

Systemtic Name: 2-[3-acetamido-6-(hydroxymethyl)-4-oxidanyl-5-[(E)-3-phenylprop-2-enoxy]oxan-2-yl]oxybenzenesulfonic acid Openeye Name: 2-[3-acetamido-5-[(E)-cinnamyl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybenzenesulfonic acid CAS Name: 2-[[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(E)-3-phenylprop-2-enoxy]-2-oxanyl]oxy]benzenesulfonic acid IUPAC Name: 2-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(E)-3-phenylprop-2-enoxy]oxan-2-yl]oxybenzenesulfonic acid Traditional Name: 2-[3-acetamido-5-[(E)-cinnamyl]oxy-4-hydroxy-6-methylol-tetrahydropyran-2-yl]oxybesylic acid Formula: C23H27NO9S MolecularWeight: 493.52678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2=CC=CC=C2S(=O)(=O)O)CO)OCC=CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NC1C(C(C(OC1OC2=CC=CC=C2S(=O)(=O)O)CO)OC/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C23H27NO9S/c1-15(26)24-20-21(27)22(31-13-7-10-16-8-3-2-4-9-16)18(14-25)33-23(20)32-17-11-5-6-12-19(17)34(28,29)30/h2-12,18,20-23,25,27H,13-14H2,1H3,(H,24,26)(H,28,29,30)/b10-7+