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(phenylmethyl) 4-[(3-bromophenyl)methoxy]-3,5-bis(iodanyl)benzoate

(phenylmethyl) 4-[(3-bromophenyl)methoxy]-3,5-bis(iodanyl)benzoate

Systemtic Name:(phenylmethyl) 4-[(3-bromophenyl)methoxy]-3,5-bis(iodanyl)benzoate
Openeye Name:benzyl 4-[(3-bromophenyl)methoxy]-3,5-diiodo-benzoate
CAS Name:4-[(3-bromophenyl)methoxy]-3,5-diiodobenzoic acid (phenylmethyl) ester
IUPAC Name:benzyl 4-[(3-bromophenyl)methoxy]-3,5-diiodobenzoate
Traditional Name:4-(3-bromobenzyl)oxy-3,5-diiodo-benzoic acid benzyl ester
Formula: C21H15BrI2O3
MolecularWeight: 649.05494
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C(=C2)I)OCC3=CC(=CC=C3)Br)I


Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C(=C2)I)OCC3=CC(=CC=C3)Br)I


InChI

InChI=1S/C21H15BrI2O3/c22-17-8-4-7-15(9-17)13-26-20-18(23)10-16(11-19(20)24)21(25)27-12-14-5-2-1-3-6-14/h1-11H,12-13H2


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