4-[(E)-2-[(4-iodophenyl)methylsulfonyl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[(4-iodophenyl)methylsulfonyl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[(4-iodophenyl)methylsulfonyl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[(4-iodophenyl)methylsulfonyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[(4-iodophenyl)methylsulfonyl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(4-iodobenzyl)sulfonylvinyl]benzoic acid Formula: C16H13IO4S MolecularWeight: 428.24149

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C=CC2=CC=C(C=C2)C(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)/C=C/C2=CC=C(C=C2)C(=O)O)I

InChI

InChI=1S/C16H13IO4S/c17-15-7-3-13(4-8-15)11-22(20,21)10-9-12-1-5-14(6-2-12)16(18)19/h1-10H,11H2,(H,18,19)/b10-9+