4-(3-bromophenyl)-4-oxidanylidene-2-prop-2-enylsulfanyl-butanoic acid

Systemtic Name: 4-(3-bromophenyl)-4-oxidanylidene-2-prop-2-enylsulfanyl-butanoic acid Openeye Name: 2-allylsulfanyl-4-(3-bromophenyl)-4-oxo-butanoic acid CAS Name: 4-(3-bromophenyl)-4-oxo-2-(prop-2-enylthio)butanoic acid IUPAC Name: 4-(3-bromophenyl)-4-oxo-2-prop-2-enylsulfanylbutanoic acid Traditional Name: 2-(allylthio)-4-(3-bromophenyl)-4-keto-butyric acid Formula: C13H13BrO3S MolecularWeight: 329.20952

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(CC(=O)C1=CC(=CC=C1)Br)C(=O)O

Isomeric SMILES

C=CCSC(CC(=O)C1=CC(=CC=C1)Br)C(=O)O

InChI

InChI=1S/C13H13BrO3S/c1-2-6-18-12(13(16)17)8-11(15)9-4-3-5-10(14)7-9/h2-5,7,12H,1,6,8H2,(H,16,17)