S-(7-ethanoylsulfanylpyren-2-yl) ethanethioate

Systemtic Name: S-(7-ethanoylsulfanylpyren-2-yl) ethanethioate Openeye Name: S-(7-acetylsulfanylpyren-2-yl) ethanethioate CAS Name: ethanethioic acid S-[7-(acetylthio)-2-pyrenyl] ester IUPAC Name: S-(7-acetylsulfanylpyren-2-yl) ethanethioate Traditional Name: ethanethioic acid S-[7-(acetylthio)pyren-2-yl] ester Formula: C20H14O2S2 MolecularWeight: 350.45396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC2=C3C(=C1)C=CC4=CC(=CC(=C43)C=C2)SC(=O)C

Isomeric SMILES

CC(=O)SC1=CC2=C3C(=C1)C=CC4=CC(=CC(=C43)C=C2)SC(=O)C

InChI

InChI=1S/C20H14O2S2/c1-11(21)23-17-7-13-3-5-15-9-18(24-12(2)22)10-16-6-4-14(8-17)19(13)20(15)16/h3-10H,1-2H3