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1,2,3,4,5-pentadeuterio-6-(2-isothiocyanatoethyl)benzene

1,2,3,4,5-pentadeuterio-6-(2-isothiocyanatoethyl)benzene

Systemtic Name:1,2,3,4,5-pentadeuterio-6-(2-isothiocyanatoethyl)benzene
Openeye Name:1,2,3,4,5-pentadeuterio-6-(2-isothiocyanatoethyl)benzene
CAS Name:1,2,3,4,5-pentadeuterio-6-(2-isothiocyanatoethyl)benzene
IUPAC Name:1,2,3,4,5-pentadeuterio-6-(2-isothiocyanatoethyl)benzene
Traditional Name:1,2,3,4,5-pentadeuterio-6-(2-isothiocyanatoethyl)benzene
Formula: C9H9NS
MolecularWeight: 168.270269
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN=C=S


Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])CCN=C=S)[2H])[2H]


InChI

InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2/i1D,2D,3D,4D,5D


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