4-(4-bromanyl-2-butyl-3-iodanyl-phenyl)-3-phenyl-hexanoic acid

Systemtic Name: 4-(4-bromanyl-2-butyl-3-iodanyl-phenyl)-3-phenyl-hexanoic acid Openeye Name: 4-(4-bromo-2-butyl-3-iodo-phenyl)-3-phenyl-hexanoic acid CAS Name: 4-(4-bromo-2-butyl-3-iodophenyl)-3-phenylhexanoic acid IUPAC Name: 4-(4-bromo-2-butyl-3-iodophenyl)-3-phenylhexanoic acid Traditional Name: 4-(4-bromo-2-butyl-3-iodo-phenyl)-3-phenyl-hexanoic acid Formula: C22H26BrIO2 MolecularWeight: 529.24911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1I)Br)C(CC)C(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C=CC(=C1I)Br)C(CC)C(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C22H26BrIO2/c1-3-5-11-18-17(12-13-20(23)22(18)24)16(4-2)19(14-21(25)26)15-9-7-6-8-10-15/h6-10,12-13,16,19H,3-5,11,14H2,1-2H3,(H,25,26)