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4-[2-[(4-bromophenyl)methylsulfanyl]-2-oxidanylidene-ethyl]benzoic acid

4-[2-[(4-bromophenyl)methylsulfanyl]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name:4-[2-[(4-bromophenyl)methylsulfanyl]-2-oxidanylidene-ethyl]benzoic acid
Openeye Name:4-[2-[(4-bromophenyl)methylsulfanyl]-2-oxo-ethyl]benzoic acid
CAS Name:4-[2-[(4-bromophenyl)methylthio]-2-oxoethyl]benzoic acid
IUPAC Name:4-[2-[(4-bromophenyl)methylsulfanyl]-2-oxoethyl]benzoic acid
Traditional Name:4-[2-[(4-bromobenzyl)thio]-2-keto-ethyl]benzoic acid
Formula: C16H13BrO3S
MolecularWeight: 365.24162
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)SCC2=CC=C(C=C2)Br)C(=O)O


Isomeric SMILES

C1=CC(=CC=C1CC(=O)SCC2=CC=C(C=C2)Br)C(=O)O


InChI

InChI=1S/C16H13BrO3S/c17-14-7-3-12(4-8-14)10-21-15(18)9-11-1-5-13(6-2-11)16(19)20/h1-8H,9-10H2,(H,19,20)


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