2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]benzoic acid Formula: C15H11BrO3S MolecularWeight: 351.21504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H11BrO3S/c16-11-7-5-10(6-8-11)13(17)9-20-14-4-2-1-3-12(14)15(18)19/h1-8H,9H2,(H,18,19)