bromanylbenzene; 4-phenyl-1,3-oxazole; 2-sulfanylpropanoic acid

Systemtic Name: bromanylbenzene; 4-phenyl-1,3-oxazole; 2-sulfanylpropanoic acid Openeye Name: bromobenzene; 4-phenyloxazole; 2-sulfanylpropanoic acid CAS Name: bromobenzene; 2-mercaptopropanoic acid; 4-phenyloxazole IUPAC Name: bromobenzene; 4-phenyl-1,3-oxazole; 2-sulfanylpropanoic acid Traditional Name: bromobenzene; 2-mercaptopropionic acid; 4-phenyloxazole Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO.C6H5Br.C3H6O2S/c1-2-4-8(5-3-1)9-6-11-7-10-9;7-6-4-2-1-3-5-6;1-2(6)3(4)5/h1-7H;1-5H;2,6H,1H3,(H,4,5)