3-[4-[2-[6-(phenethylamino)hexylamino]ethyl]phenyl]sulfanylbenzene-1,2-diol

Systemtic Name: 3-[4-[2-[6-(phenethylamino)hexylamino]ethyl]phenyl]sulfanylbenzene-1,2-diol Openeye Name: 3-[4-[2-[6-(phenethylamino)hexylamino]ethyl]phenyl]sulfanylbenzene-1,2-diol CAS Name: 3-[[4-[2-[6-(phenethylamino)hexylamino]ethyl]phenyl]thio]benzene-1,2-diol IUPAC Name: 3-[4-[2-[6-(phenethylamino)hexylamino]ethyl]phenyl]sulfanylbenzene-1,2-diol Traditional Name: 3-[[4-[2-[6-(phenethylamino)hexylamino]ethyl]phenyl]thio]pyrocatechol Formula: C28H36N2O2S MolecularWeight: 464.66264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC=C(C=C2)SC3=CC=CC(=C3O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC=C(C=C2)SC3=CC=CC(=C3O)O

InChI

InChI=1S/C28H36N2O2S/c31-26-11-8-12-27(28(26)32)33-25-15-13-24(14-16-25)18-22-30-20-7-2-1-6-19-29-21-17-23-9-4-3-5-10-23/h3-5,8-16,29-32H,1-2,6-7,17-22H2