3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(phenylmethyl)prop-2-enoic acid

Systemtic Name: 3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(phenylmethyl)prop-2-enoic acid Openeye Name: 2-benzyl-3-(4-hydroxy-3,5-diiodo-phenyl)prop-2-enoic acid CAS Name: 3-(4-hydroxy-3,5-diiodophenyl)-2-(phenylmethyl)-2-propenoic acid IUPAC Name: 2-benzyl-3-(4-hydroxy-3,5-diiodophenyl)prop-2-enoic acid Traditional Name: 2-benzyl-3-(4-hydroxy-3,5-diiodo-phenyl)acrylic acid Formula: C16H12I2O3 MolecularWeight: 506.07362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12I2O3/c17-13-8-11(9-14(18)15(13)19)7-12(16(20)21)6-10-4-2-1-3-5-10/h1-5,7-9,19H,6H2,(H,20,21)