[3-(hydroxymethyl)-2-[[6-(4-phenylsulfanylbutoxy)hexylamino]methyl]phenyl]methanol

Systemtic Name: [3-(hydroxymethyl)-2-[[6-(4-phenylsulfanylbutoxy)hexylamino]methyl]phenyl]methanol Openeye Name: [3-(hydroxymethyl)-2-[[6-(4-phenylsulfanylbutoxy)hexylamino]methyl]phenyl]methanol CAS Name: [3-(hydroxymethyl)-2-[[6-[4-(phenylthio)butoxy]hexylamino]methyl]phenyl]methanol IUPAC Name: [3-(hydroxymethyl)-2-[[6-(4-phenylsulfanylbutoxy)hexylamino]methyl]phenyl]methanol Traditional Name: [3-methylol-2-[[6-[4-(phenylthio)butoxy]hexylamino]methyl]phenyl]methanol Formula: C25H37NO3S MolecularWeight: 431.63118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCOCCCCCCNCC2=C(C=CC=C2CO)CO

Isomeric SMILES

C1=CC=C(C=C1)SCCCCOCCCCCCNCC2=C(C=CC=C2CO)CO

InChI

InChI=1S/C25H37NO3S/c27-20-22-11-10-12-23(21-28)25(22)19-26-15-6-1-2-7-16-29-17-8-9-18-30-24-13-4-3-5-14-24/h3-5,10-14,26-28H,1-2,6-9,15-21H2