4-octylsulfanylbenzoic acid

Systemtic Name: 4-octylsulfanylbenzoic acid Openeye Name: 4-octylsulfanylbenzoic acid CAS Name: 4-(octylthio)benzoic acid IUPAC Name: 4-octylsulfanylbenzoic acid Traditional Name: 4-(octylthio)benzoic acid Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H22O2S/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H,16,17)