2-pentylsulfanylbenzoate

Systemtic Name: 2-pentylsulfanylbenzoate Openeye Name: 2-pentylsulfanylbenzoate CAS Name: 2-(pentylthio)benzoate IUPAC Name: 2-pentylsulfanylbenzoate Traditional Name: 2-(amylthio)benzoate Formula: C12H15O2S- MolecularWeight: 223.3113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCCCSC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C12H16O2S/c1-2-3-6-9-15-11-8-5-4-7-10(11)12(13)14/h4-5,7-8H,2-3,6,9H2,1H3,(H,13,14)/p-1