bromanylbenzene; 2-(4-phenyl-1,3-oxazol-2-yl)-2-sulfanyl-ethanoic acid

Systemtic Name: bromanylbenzene; 2-(4-phenyl-1,3-oxazol-2-yl)-2-sulfanyl-ethanoic acid Openeye Name: bromobenzene; 2-(4-phenyloxazol-2-yl)-2-sulfanyl-acetic acid CAS Name: bromobenzene; 2-mercapto-2-(4-phenyl-2-oxazolyl)acetic acid IUPAC Name: bromobenzene; 2-(4-phenyl-1,3-oxazol-2-yl)-2-sulfanylacetic acid Traditional Name: bromobenzene; 2-mercapto-2-(4-phenyloxazol-2-yl)acetic acid Formula: C17H14BrNO3S MolecularWeight: 392.26696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=COC(=N2)C(C(=O)O)S.C1=CC=C(C=C1)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=COC(=N2)C(C(=O)O)S.C1=CC=C(C=C1)Br

InChI

InChI=1S/C11H9NO3S.C6H5Br/c13-11(14)9(16)10-12-8(6-15-10)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-6,9,16H,(H,13,14);1-5H