1-[4-bromanyl-3-(2-chloranylpropoxy)-2-methylsulfanyl-phenyl]-3-cyclopropyl-propane-1,3-dione

Systemtic Name: 1-[4-bromanyl-3-(2-chloranylpropoxy)-2-methylsulfanyl-phenyl]-3-cyclopropyl-propane-1,3-dione Openeye Name: 1-[4-bromo-3-(2-chloropropoxy)-2-methylsulfanyl-phenyl]-3-cyclopropyl-propane-1,3-dione CAS Name: 1-[4-bromo-3-(2-chloropropoxy)-2-(methylthio)phenyl]-3-cyclopropylpropane-1,3-dione IUPAC Name: 1-[4-bromo-3-(2-chloropropoxy)-2-methylsulfanylphenyl]-3-cyclopropylpropane-1,3-dione Traditional Name: 1-[4-bromo-3-(2-chloropropoxy)-2-(methylthio)phenyl]-3-cyclopropyl-propane-1,3-dione Formula: C16H18BrClO3S MolecularWeight: 405.73432

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=CC(=C1SC)C(=O)CC(=O)C2CC2)Br)Cl

Isomeric SMILES

CC(COC1=C(C=CC(=C1SC)C(=O)CC(=O)C2CC2)Br)Cl

InChI

InChI=1S/C16H18BrClO3S/c1-9(18)8-21-15-12(17)6-5-11(16(15)22-2)14(20)7-13(19)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3