2-[3-[(4-ethylphenyl)methyl]benzotriazol-5-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: 2-[3-[(4-ethylphenyl)methyl]benzotriazol-5-yl]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: 2-[3-[(4-ethylphenyl)methyl]benzotriazol-5-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: 2-[3-[(4-ethylphenyl)methyl]-5-benzotriazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: 2-[3-[(4-ethylphenyl)methyl]benzotriazol-5-yl]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: 2-[3-(4-ethylbenzyl)benzotriazol-5-yl]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)N=N2

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)N=N2

InChI

InChI=1S/C21H25N3O5/c1-2-12-3-5-13(6-4-12)10-24-16-9-14(7-8-15(16)22-23-24)21-20(28)19(27)18(26)17(11-25)29-21/h3-9,17-21,25-28H,2,10-11H2,1H3