2-(hydroxymethyl)-4-[1-oxidanyl-2-(6-phenethylsulfanylhexylamino)ethyl]phenol

Systemtic Name: 2-(hydroxymethyl)-4-[1-oxidanyl-2-(6-phenethylsulfanylhexylamino)ethyl]phenol Openeye Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-(6-phenethylsulfanylhexylamino)ethyl]phenol CAS Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(phenethylthio)hexylamino]ethyl]phenol IUPAC Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-(6-phenethylsulfanylhexylamino)ethyl]phenol Traditional Name: 4-[1-hydroxy-2-[6-(phenethylthio)hexylamino]ethyl]-2-methylol-phenol Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O

Isomeric SMILES

C1=CC=C(C=C1)CCSCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O

InChI

InChI=1S/C23H33NO3S/c25-18-21-16-20(10-11-22(21)26)23(27)17-24-13-6-1-2-7-14-28-15-12-19-8-4-3-5-9-19/h3-5,8-11,16,23-27H,1-2,6-7,12-15,17-18H2