2-hexylsulfanyl-2-thiophen-2-yl-ethanoic acid

Systemtic Name: 2-hexylsulfanyl-2-thiophen-2-yl-ethanoic acid Openeye Name: 2-hexylsulfanyl-2-(2-thienyl)acetic acid CAS Name: 2-(hexylthio)-2-thiophen-2-ylacetic acid IUPAC Name: 2-hexylsulfanyl-2-thiophen-2-ylacetic acid Traditional Name: 2-(hexylthio)-2-(2-thienyl)acetic acid Formula: C12H18O2S2 MolecularWeight: 258.40012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C1=CC=CS1)C(=O)O

Isomeric SMILES

CCCCCCSC(C1=CC=CS1)C(=O)O

InChI

InChI=1S/C12H18O2S2/c1-2-3-4-5-8-16-11(12(13)14)10-7-6-9-15-10/h6-7,9,11H,2-5,8H2,1H3,(H,13,14)