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

Systemtic Name: [3-(hydroxymethyl)-2-[[6-(2-naphthalen-2-ylsulfanylethoxy)hexylamino]methyl]phenyl]methanol Openeye Name: [3-(hydroxymethyl)-2-[[6-[2-(2-naphthylsulfanyl)ethoxy]hexylamino]methyl]phenyl]methanol CAS Name: [3-(hydroxymethyl)-2-[[6-[2-(2-naphthalenylthio)ethoxy]hexylamino]methyl]phenyl]methanol IUPAC Name: [3-(hydroxymethyl)-2-[[6-(2-naphthalen-2-ylsulfanylethoxy)hexylamino]methyl]phenyl]methanol Traditional Name: [3-methylol-2-[[6-[2-(2-naphthylthio)ethoxy]hexylamino]methyl]phenyl]methanol Formula: C27H35NO3S MolecularWeight: 453.6367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCCOCCCCCCNCC3=C(C=CC=C3CO)CO

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCCOCCCCCCNCC3=C(C=CC=C3CO)CO

InChI

InChI=1S/C27H35NO3S/c29-20-24-10-7-11-25(21-30)27(24)19-28-14-5-1-2-6-15-31-16-17-32-26-13-12-22-8-3-4-9-23(22)18-26/h3-4,7-13,18,28-30H,1-2,5-6,14-17,19-21H2