2-(3,4-dichlorophenyl)-2-hexylsulfanyl-ethanoic acid

Systemtic Name: 2-(3,4-dichlorophenyl)-2-hexylsulfanyl-ethanoic acid Openeye Name: 2-(3,4-dichlorophenyl)-2-hexylsulfanyl-acetic acid CAS Name: 2-(3,4-dichlorophenyl)-2-(hexylthio)acetic acid IUPAC Name: 2-(3,4-dichlorophenyl)-2-hexylsulfanylacetic acid Traditional Name: 2-(3,4-dichlorophenyl)-2-(hexylthio)acetic acid Formula: C14H18Cl2O2S MolecularWeight: 321.26252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C1=CC(=C(C=C1)Cl)Cl)C(=O)O

Isomeric SMILES

CCCCCCSC(C1=CC(=C(C=C1)Cl)Cl)C(=O)O

InChI

InChI=1S/C14H18Cl2O2S/c1-2-3-4-5-8-19-13(14(17)18)10-6-7-11(15)12(16)9-10/h6-7,9,13H,2-5,8H2,1H3,(H,17,18)