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| CAS number | 852246-55-0 |
| Molecular formula | C16H16N2O3S2 |
| Product name | Benzeneacetonitrile 852246-55-0 |
| Molecular Structure |  |
Boiling point :491.1±55.0 °C(Predicted)
density :1.27±0.1 g/cm3(Predicted)
InChI : InChI=1S/C16H16N2O3S2/c1-3-10-23(19,20)21-18-16-14(8-9-22-16)15(11-17)13-7-5-4-6-12(13)2/h4-9H,3,10H2,1-2H3/b15-14?,18-16-
InChIKey : PYKXYIPEUCVBIB-JAPYYMBESA-N
SMILES : C(C1C=CC=CC=1C)(=C1C=CS/C/1=N\OS(=O)(=O)CCC)C#N
