2-[(3-azanyl-4-octoxy-phenyl)methylsulfanyl]ethanol

Systemtic Name: 2-[(3-azanyl-4-octoxy-phenyl)methylsulfanyl]ethanol Openeye Name: 2-[(3-amino-4-octoxy-phenyl)methylsulfanyl]ethanol CAS Name: 2-[(3-amino-4-octoxyphenyl)methylthio]ethanol IUPAC Name: 2-[(3-amino-4-octoxyphenyl)methylsulfanyl]ethanol Traditional Name: 2-[(3-amino-4-octoxy-benzyl)thio]ethanol Formula: C17H29NO2S MolecularWeight: 311.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)CSCCO)N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)CSCCO)N

InChI

InChI=1S/C17H29NO2S/c1-2-3-4-5-6-7-11-20-17-9-8-15(13-16(17)18)14-21-12-10-19/h8-9,13,19H,2-7,10-12,14,18H2,1H3