4-[(E)-2-[2,5-bis(bromanyl)phenyl]sulfonyl-2-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[2,5-bis(bromanyl)phenyl]sulfonyl-2-cyano-ethenyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-2-(2,5-dibromophenyl)sulfonyl-vinyl]benzoic acid CAS Name: 4-[(E)-2-cyano-2-(2,5-dibromophenyl)sulfonylethenyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-2-(2,5-dibromophenyl)sulfonylethenyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-2-(2,5-dibromophenyl)sulfonyl-vinyl]benzoic acid Formula: C16H9Br2NO4S MolecularWeight: 471.11996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/S(=O)(=O)C2=C(C=CC(=C2)Br)Br)C(=O)O

InChI

InChI=1S/C16H9Br2NO4S/c17-12-5-6-14(18)15(8-12)24(22,23)13(9-19)7-10-1-3-11(4-2-10)16(20)21/h1-8H,(H,20,21)/b13-7+