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

Systemtic Name: (3S,4S,5S,6R)-6-(hydroxymethyl)-3-[3-[2-(4-methoxyphenyl)ethyl]benzotriazol-4-yl]oxy-oxane-2,3,4,5-tetrol Openeye Name: (3S,4S,5S,6R)-6-(hydroxymethyl)-3-[3-[2-(4-methoxyphenyl)ethyl]benzotriazol-4-yl]oxy-tetrahydropyran-2,3,4,5-tetrol CAS Name: (3S,4S,5S,6R)-6-(hydroxymethyl)-3-[[3-[2-(4-methoxyphenyl)ethyl]-4-benzotriazolyl]oxy]oxane-2,3,4,5-tetrol IUPAC Name: (3S,4S,5S,6R)-6-(hydroxymethyl)-3-[3-[2-(4-methoxyphenyl)ethyl]benzotriazol-4-yl]oxyoxane-2,3,4,5-tetrol Traditional Name: (3S,4S,5S,6R)-3-[3-[2-(4-methoxyphenyl)ethyl]benzotriazol-4-yl]oxy-6-methylol-tetrahydropyran-2,3,4,5-tetrol Formula: C21H25N3O8 MolecularWeight: 447.4385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2C3=C(C=CC=C3OC4(C(C(C(OC4O)CO)O)O)O)N=N2

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C3=C(C=CC=C3O[C@]4([C@H]([C@@H]([C@H](OC4O)CO)O)O)O)N=N2

InChI

InChI=1S/C21H25N3O8/c1-30-13-7-5-12(6-8-13)9-10-24-17-14(22-23-24)3-2-4-15(17)32-21(29)19(27)18(26)16(11-25)31-20(21)28/h2-8,16,18-20,25-29H,9-11H2,1H3/t16-,18-,19+,20?,21+/m1/s1