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

Systemtic Name: 2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]ethanenitrile Openeye Name: 2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetonitrile CAS Name: 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]acetonitrile IUPAC Name: 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]acetonitrile Traditional Name: 2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetonitrile Formula: C17H15Br2NO2 MolecularWeight: 425.1145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CC#N)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CC#N)Br)O

InChI

InChI=1S/C17H15Br2NO2/c1-10(2)13-9-12(3-4-16(13)21)22-17-14(18)7-11(5-6-20)8-15(17)19/h3-4,7-10,21H,5H2,1-2H3