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

Systemtic Name: 2-[3-[(4-ethylphenyl)methyl]benzotriazol-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: 2-[3-[(4-ethylphenyl)methyl]benzotriazol-4-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: 2-[3-[(4-ethylphenyl)methyl]-4-benzotriazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: 2-[3-[(4-ethylphenyl)methyl]benzotriazol-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: 2-[3-(4-ethylbenzyl)benzotriazol-4-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=C3N=N2)C4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C3=C(C=CC=C3N=N2)C4C(C(C(C(O4)CO)O)O)O

InChI

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