S-[(5Z,7Z)-8-ethanoylsulfanyltrideca-1,5,7-trien-3,9,11-triyn-5-yl] ethanethioate

Systemtic Name: S-[(5Z,7Z)-8-ethanoylsulfanyltrideca-1,5,7-trien-3,9,11-triyn-5-yl] ethanethioate Openeye Name: S-[(1Z,3Z)-4-acetylsulfanyl-1-but-3-en-1-ynyl-nona-1,3-dien-5,7-diynyl] ethanethioate CAS Name: ethanethioic acid S-[(5Z,7Z)-8-(acetylthio)trideca-1,5,7-trien-3,9,11-triyn-5-yl] ester IUPAC Name: S-[(5Z,7Z)-8-acetylsulfanyltrideca-1,5,7-trien-3,9,11-triyn-5-yl] ethanethioate Traditional Name: ethanethioic acid S-[(1Z,3Z)-4-(acetylthio)-1-but-3-en-1-ynyl-nona-1,3-dien-5,7-diynyl] ester Formula: C17H14O2S2 MolecularWeight: 314.42186

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC#CC(=CC=C(C#CC=C)SC(=O)C)SC(=O)C

Isomeric SMILES

CC#CC#C/C(=C/C=C(/C#CC=C)\SC(=O)C)/SC(=O)C

InChI

InChI=1S/C17H14O2S2/c1-5-7-9-11-17(21-15(4)19)13-12-16(10-8-6-2)20-14(3)18/h6,12-13H,2H2,1,3-4H3/b16-12-,17-13-