4-[4-(2-bromanyl-4-methyl-phenoxy)but-2-ynylsulfanyl]-6-methyl-pyran-2-one

Systemtic Name: 4-[4-(2-bromanyl-4-methyl-phenoxy)but-2-ynylsulfanyl]-6-methyl-pyran-2-one Openeye Name: 4-[4-(2-bromo-4-methyl-phenoxy)but-2-ynylsulfanyl]-6-methyl-pyran-2-one CAS Name: 4-[4-(2-bromo-4-methylphenoxy)but-2-ynylthio]-6-methyl-2-pyranone IUPAC Name: 4-[4-(2-bromo-4-methylphenoxy)but-2-ynylsulfanyl]-6-methylpyran-2-one Traditional Name: 4-[4-(2-bromo-4-methyl-phenoxy)but-2-ynylthio]-6-methyl-pyran-2-one Formula: C17H15BrO3S MolecularWeight: 379.2682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC#CCSC2=CC(=O)OC(=C2)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC#CCSC2=CC(=O)OC(=C2)C)Br

InChI

InChI=1S/C17H15BrO3S/c1-12-5-6-16(15(18)9-12)20-7-3-4-8-22-14-10-13(2)21-17(19)11-14/h5-6,9-11H,7-8H2,1-2H3