1-[3,5-bis(bromanyl)-4-[4-oxidanyl-2-(phenylmethyl)-5-propan-2-yl-phenoxy]phenyl]propan-2-one

Systemtic Name: 1-[3,5-bis(bromanyl)-4-[4-oxidanyl-2-(phenylmethyl)-5-propan-2-yl-phenoxy]phenyl]propan-2-one Openeye Name: 1-[4-(2-benzyl-4-hydroxy-5-isopropyl-phenoxy)-3,5-dibromo-phenyl]propan-2-one CAS Name: 1-[3,5-dibromo-4-[4-hydroxy-2-(phenylmethyl)-5-propan-2-ylphenoxy]phenyl]-2-propanone IUPAC Name: 1-[4-(2-benzyl-4-hydroxy-5-propan-2-ylphenoxy)-3,5-dibromophenyl]propan-2-one Traditional Name: 1-[4-(2-benzyl-4-hydroxy-5-isopropyl-phenoxy)-3,5-dibromo-phenyl]acetone Formula: C25H24Br2O3 MolecularWeight: 532.26426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C(=C1)OC2=C(C=C(C=C2Br)CC(=O)C)Br)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)C1=C(C=C(C(=C1)OC2=C(C=C(C=C2Br)CC(=O)C)Br)CC3=CC=CC=C3)O

InChI

InChI=1S/C25H24Br2O3/c1-15(2)20-14-24(19(13-23(20)29)10-17-7-5-4-6-8-17)30-25-21(26)11-18(9-16(3)28)12-22(25)27/h4-8,11-15,29H,9-10H2,1-3H3