[2-(aminomethyl)-4-hexyl-3-(hydroxymethyl)-5-phenethylsulfanyl-phenyl]methanol

Systemtic Name: [2-(aminomethyl)-4-hexyl-3-(hydroxymethyl)-5-phenethylsulfanyl-phenyl]methanol Openeye Name: [2-(aminomethyl)-4-hexyl-3-(hydroxymethyl)-5-phenethylsulfanyl-phenyl]methanol CAS Name: [2-(aminomethyl)-4-hexyl-3-(hydroxymethyl)-5-(phenethylthio)phenyl]methanol IUPAC Name: [2-(aminomethyl)-4-hexyl-3-(hydroxymethyl)-5-phenethylsulfanylphenyl]methanol Traditional Name: [2-(aminomethyl)-4-hexyl-3-methylol-5-(phenethylthio)phenyl]methanol Formula: C23H33NO2S MolecularWeight: 387.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C(=C1CO)CN)CO)SCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=C(C=C(C(=C1CO)CN)CO)SCCC2=CC=CC=C2

InChI

InChI=1S/C23H33NO2S/c1-2-3-4-8-11-20-22(17-26)21(15-24)19(16-25)14-23(20)27-13-12-18-9-6-5-7-10-18/h5-7,9-10,14,25-26H,2-4,8,11-13,15-17,24H2,1H3