(E)-1-phenylsulfanylhept-1-en-6-yn-3-one

Systemtic Name: (E)-1-phenylsulfanylhept-1-en-6-yn-3-one Openeye Name: (E)-1-phenylsulfanylhept-1-en-6-yn-3-one CAS Name: (E)-1-(phenylthio)-3-hept-1-en-6-ynone IUPAC Name: (E)-1-phenylsulfanylhept-1-en-6-yn-3-one Traditional Name: (E)-1-(phenylthio)hept-1-en-6-yn-3-one Formula: C13H12OS MolecularWeight: 216.29878

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC(=O)C=CSC1=CC=CC=C1

Isomeric SMILES

C#CCCC(=O)/C=C/SC1=CC=CC=C1

InChI

InChI=1S/C13H12OS/c1-2-3-7-12(14)10-11-15-13-8-5-4-6-9-13/h1,4-6,8-11H,3,7H2/b11-10+