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

Systemtic Name: 2-(hydroxymethyl)-4-[1-oxidanyl-2-[6-(4-phenylsulfanylbutoxy)hexylamino]ethyl]phenol Openeye Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylsulfanylbutoxy)hexylamino]ethyl]phenol CAS Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-[4-(phenylthio)butoxy]hexylamino]ethyl]phenol IUPAC Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylsulfanylbutoxy)hexylamino]ethyl]phenol Traditional Name: 4-[1-hydroxy-2-[6-[4-(phenylthio)butoxy]hexylamino]ethyl]-2-methylol-phenol Formula: C25H37NO4S MolecularWeight: 447.63058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO4S/c27-20-22-18-21(12-13-24(22)28)25(29)19-26-14-6-1-2-7-15-30-16-8-9-17-31-23-10-4-3-5-11-23/h3-5,10-13,18,25-29H,1-2,6-9,14-17,19-20H2