[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]methyl-ethyl-phosphinic acid

Systemtic Name: [3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]methyl-ethyl-phosphinic acid Openeye Name: [3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]methyl-ethyl-phosphinic acid CAS Name: [3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-ethylphosphinic acid IUPAC Name: [3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methyl-ethylphosphinic acid Traditional Name: [3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzyl]-ethyl-phosphinic acid Formula: C18H21Br2O4P MolecularWeight: 492.138701

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Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(CC1=CC(=C(C(=C1)Br)OC2=CC(=C(C=C2)O)C(C)C)Br)O

Isomeric SMILES

CCP(=O)(CC1=CC(=C(C(=C1)Br)OC2=CC(=C(C=C2)O)C(C)C)Br)O

InChI

InChI=1S/C18H21Br2O4P/c1-4-25(22,23)10-12-7-15(19)18(16(20)8-12)24-13-5-6-17(21)14(9-13)11(2)3/h5-9,11,21H,4,10H2,1-3H3,(H,22,23)