4-hexylsulfanylbenzoate

Systemtic Name: 4-hexylsulfanylbenzoate Openeye Name: 4-hexylsulfanylbenzoate CAS Name: 4-(hexylthio)benzoate IUPAC Name: 4-hexylsulfanylbenzoate Traditional Name: 4-(hexylthio)benzoate Formula: C13H17O2S- MolecularWeight: 237.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCSC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C13H18O2S/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)/p-1