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

Systemtic Name: 4-[4-(2-chloranylphenoxy)but-2-ynylsulfanyl]-6-methyl-pyran-2-one Openeye Name: 4-[4-(2-chlorophenoxy)but-2-ynylsulfanyl]-6-methyl-pyran-2-one CAS Name: 4-[4-(2-chlorophenoxy)but-2-ynylthio]-6-methyl-2-pyranone IUPAC Name: 4-[4-(2-chlorophenoxy)but-2-ynylsulfanyl]-6-methylpyran-2-one Traditional Name: 4-[4-(2-chlorophenoxy)but-2-ynylthio]-6-methyl-pyran-2-one Formula: C16H13ClO3S MolecularWeight: 320.79062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)O1)SCC#CCOC2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC(=CC(=O)O1)SCC#CCOC2=CC=CC=C2Cl

InChI

InChI=1S/C16H13ClO3S/c1-12-10-13(11-16(18)20-12)21-9-5-4-8-19-15-7-3-2-6-14(15)17/h2-3,6-7,10-11H,8-9H2,1H3