4-(3-methylbut-2-enylsulfanyl)benzoate

Systemtic Name: 4-(3-methylbut-2-enylsulfanyl)benzoate Openeye Name: 4-(3-methylbut-2-enylsulfanyl)benzoate CAS Name: 4-(3-methylbut-2-enylthio)benzoate IUPAC Name: 4-(3-methylbut-2-enylsulfanyl)benzoate Traditional Name: 4-(3-methylbut-2-enylthio)benzoate Formula: C12H13O2S- MolecularWeight: 221.29542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=CC=C(C=C1)C(=O)[O-])C

Isomeric SMILES

CC(=CCSC1=CC=C(C=C1)C(=O)[O-])C

InChI

InChI=1S/C12H14O2S/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-7H,8H2,1-2H3,(H,13,14)/p-1