3-[2-(6-phenethylsulfanylhexylamino)ethyl]benzene-1,2-diol

Systemtic Name: 3-[2-(6-phenethylsulfanylhexylamino)ethyl]benzene-1,2-diol Openeye Name: 3-[2-(6-phenethylsulfanylhexylamino)ethyl]benzene-1,2-diol CAS Name: 3-[2-[6-(phenethylthio)hexylamino]ethyl]benzene-1,2-diol IUPAC Name: 3-[2-(6-phenethylsulfanylhexylamino)ethyl]benzene-1,2-diol Traditional Name: 3-[2-[6-(phenethylthio)hexylamino]ethyl]pyrocatechol Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSCCCCCCNCCC2=C(C(=CC=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCSCCCCCCNCCC2=C(C(=CC=C2)O)O

InChI

InChI=1S/C22H31NO2S/c24-21-12-8-11-20(22(21)25)13-16-23-15-6-1-2-7-17-26-18-14-19-9-4-3-5-10-19/h3-5,8-12,23-25H,1-2,6-7,13-18H2