5-bromanyl-2-prop-2-enylsulfanyl-benzoic acid

Systemtic Name: 5-bromanyl-2-prop-2-enylsulfanyl-benzoic acid Openeye Name: 2-allylsulfanyl-5-bromo-benzoic acid CAS Name: 5-bromo-2-(prop-2-enylthio)benzoic acid IUPAC Name: 5-bromo-2-prop-2-enylsulfanylbenzoic acid Traditional Name: 2-(allylthio)-5-bromo-benzoic acid Formula: C10H9BrO2S MolecularWeight: 273.14626

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=C(C=C1)Br)C(=O)O

Isomeric SMILES

C=CCSC1=C(C=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C10H9BrO2S/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h2-4,6H,1,5H2,(H,12,13)