2-hexylsulfanylbenzoate

Systemtic Name: 2-hexylsulfanylbenzoate Openeye Name: 2-hexylsulfanylbenzoate CAS Name: 2-(hexylthio)benzoate IUPAC Name: 2-hexylsulfanylbenzoate Traditional Name: 2-(hexylthio)benzoate Formula: C13H17O2S- MolecularWeight: 237.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCCCCSC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C13H18O2S/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,15)/p-1