2-[4-(methylamino)phenyl]sulfanyloctanoic acid

Systemtic Name: 2-[4-(methylamino)phenyl]sulfanyloctanoic acid Openeye Name: 2-[4-(methylamino)phenyl]sulfanyloctanoic acid CAS Name: 2-[[4-(methylamino)phenyl]thio]octanoic acid IUPAC Name: 2-[4-(methylamino)phenyl]sulfanyloctanoic acid Traditional Name: 2-[[4-(methylamino)phenyl]thio]caprylic acid Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)NC

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)NC

InChI

InChI=1S/C15H23NO2S/c1-3-4-5-6-7-14(15(17)18)19-13-10-8-12(16-2)9-11-13/h8-11,14,16H,3-7H2,1-2H3,(H,17,18)