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

Systemtic Name: [3-(hydroxymethyl)-2-[[6-(3-phenylsulfanylpropoxy)hexylamino]methyl]phenyl]methanol Openeye Name: [3-(hydroxymethyl)-2-[[6-(3-phenylsulfanylpropoxy)hexylamino]methyl]phenyl]methanol CAS Name: [3-(hydroxymethyl)-2-[[6-[3-(phenylthio)propoxy]hexylamino]methyl]phenyl]methanol IUPAC Name: [3-(hydroxymethyl)-2-[[6-(3-phenylsulfanylpropoxy)hexylamino]methyl]phenyl]methanol Traditional Name: [3-methylol-2-[[6-[3-(phenylthio)propoxy]hexylamino]methyl]phenyl]methanol Formula: C24H35NO3S MolecularWeight: 417.6046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCOCCCCCCNCC2=C(C=CC=C2CO)CO

Isomeric SMILES

C1=CC=C(C=C1)SCCCOCCCCCCNCC2=C(C=CC=C2CO)CO

InChI

InChI=1S/C24H35NO3S/c26-19-21-10-8-11-22(20-27)24(21)18-25-14-6-1-2-7-15-28-16-9-17-29-23-12-4-3-5-13-23/h3-5,8,10-13,25-27H,1-2,6-7,9,14-20H2