(3S,4S,5S,6R)-3-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]benzotriazol-4-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Systemtic Name: (3S,4S,5S,6R)-3-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]benzotriazol-4-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol Openeye Name: (3S,4S,5S,6R)-3-[3-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]benzotriazol-4-yl]oxy-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol CAS Name: (3S,4S,5S,6R)-3-[[3-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-4-benzotriazolyl]oxy]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol IUPAC Name: (3S,4S,5S,6R)-3-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]benzotriazol-4-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol Traditional Name: (3S,4S,5S,6R)-3-[3-(2-coumaran-5-ylethyl)benzotriazol-4-yl]oxy-6-methylol-tetrahydropyran-2,3,4,5-tetrol Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CCN3C4=C(C=CC=C4OC5(C(C(C(OC5O)CO)O)O)O)N=N3

Isomeric SMILES

C1COC2=C1C=C(C=C2)CCN3C4=C(C=CC=C4O[C@]5([C@H]([C@@H]([C@H](OC5O)CO)O)O)O)N=N3

InChI

InChI=1S/C22H25N3O8/c26-11-17-19(27)20(28)22(30,21(29)32-17)33-16-3-1-2-14-18(16)25(24-23-14)8-6-12-4-5-15-13(10-12)7-9-31-15/h1-5,10,17,19-21,26-30H,6-9,11H2/t17-,19-,20+,21?,22+/m1/s1