4-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(3,5-dibromo-4-hydroxy-phenyl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(3,5-dibromo-4-hydroxy-phenyl)vinyl]benzoic acid Formula: C16H9Br2NO3 MolecularWeight: 423.05556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=CC2=CC(=C(C(=C2)Br)O)Br)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=CC2=CC(=C(C(=C2)Br)O)Br)C#N)C(=O)O

InChI

InChI=1S/C16H9Br2NO3/c17-13-6-9(7-14(18)15(13)20)5-12(8-19)10-1-3-11(4-2-10)16(21)22/h1-7,20H,(H,21,22)