[(3E,5Z)-3-(phenylmethylsulfanyl)undeca-3,5-dien-1,7,9-triyn-6-yl]sulfanylmethylbenzene

Systemtic Name: [(3E,5Z)-3-(phenylmethylsulfanyl)undeca-3,5-dien-1,7,9-triyn-6-yl]sulfanylmethylbenzene Openeye Name: [(1E,3Z)-4-benzylsulfanyl-1-ethynyl-nona-1,3-dien-5,7-diynyl]sulfanylmethylbenzene CAS Name: [[(3E,5Z)-3-(phenylmethylthio)undeca-3,5-dien-1,7,9-triyn-6-yl]thio]methylbenzene IUPAC Name: [(3E,5Z)-3-benzylsulfanylundeca-3,5-dien-1,7,9-triyn-6-yl]sulfanylmethylbenzene Traditional Name: [[(1E,3Z)-4-(benzylthio)-1-ethynyl-nona-1,3-dien-5,7-diynyl]thio]methylbenzene Formula: C25H20S2 MolecularWeight: 384.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC#CC(=CC=C(C#C)SCC1=CC=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CC#CC#C/C(=C/C=C(\C#C)/SCC1=CC=CC=C1)/SCC2=CC=CC=C2

InChI

InChI=1S/C25H20S2/c1-3-5-8-17-25(27-21-23-15-11-7-12-16-23)19-18-24(4-2)26-20-22-13-9-6-10-14-22/h2,6-7,9-16,18-19H,20-21H2,1H3/b24-18+,25-19-