2-[(5-azanyl-2-octoxy-phenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(5-azanyl-2-octoxy-phenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(5-amino-2-octoxy-phenyl)methylsulfanyl]acetic acid CAS Name: 2-[(5-amino-2-octoxyphenyl)methylthio]acetic acid IUPAC Name: 2-[(5-amino-2-octoxyphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(5-amino-2-octoxy-benzyl)thio]acetic acid Formula: C17H27NO3S MolecularWeight: 325.46618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)N)CSCC(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)N)CSCC(=O)O

InChI

InChI=1S/C17H27NO3S/c1-2-3-4-5-6-7-10-21-16-9-8-15(18)11-14(16)12-22-13-17(19)20/h8-9,11H,2-7,10,12-13,18H2,1H3,(H,19,20)