6-[(4-hydroxyphenyl)methylamino]cyclohex-4-ene-1,2,3-triol

Systemtic Name: 6-[(4-hydroxyphenyl)methylamino]cyclohex-4-ene-1,2,3-triol Openeye Name: 6-[(4-hydroxyphenyl)methylamino]cyclohex-4-ene-1,2,3-triol CAS Name: 6-[(4-hydroxyphenyl)methylamino]cyclohex-4-ene-1,2,3-triol IUPAC Name: 6-[(4-hydroxyphenyl)methylamino]cyclohex-4-ene-1,2,3-triol Traditional Name: 6-[(4-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(C(C1NCC2=CC=C(C=C2)O)O)O)O

Isomeric SMILES

C1=CC(C(C(C1NCC2=CC=C(C=C2)O)O)O)O

InChI

InChI=1S/C13H17NO4/c15-9-3-1-8(2-4-9)7-14-10-5-6-11(16)13(18)12(10)17/h1-6,10-18H,7H2