3-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)propanal

Systemtic Name: 3-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)propanal Openeye Name: 3-(4-bromo-2-isopropyl-5-methyl-phenoxy)propanal CAS Name: 3-(4-bromo-5-methyl-2-propan-2-ylphenoxy)propanal IUPAC Name: 3-(4-bromo-5-methyl-2-propan-2-ylphenoxy)propanal Traditional Name: 3-(4-bromo-2-isopropyl-5-methyl-phenoxy)propionaldehyde Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCCC=O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCCC=O

InChI

InChI=1S/C13H17BrO2/c1-9(2)11-8-12(14)10(3)7-13(11)16-6-4-5-15/h5,7-9H,4,6H2,1-3H3