1,2-diethoxy-4-(2-isothiocyanatoethyl)benzene

Systemtic Name: 1,2-diethoxy-4-(2-isothiocyanatoethyl)benzene Openeye Name: 1,2-diethoxy-4-(2-isothiocyanatoethyl)benzene CAS Name: 1,2-diethoxy-4-(2-isothiocyanatoethyl)benzene IUPAC Name: 1,2-diethoxy-4-(2-isothiocyanatoethyl)benzene Traditional Name: 1,2-diethoxy-4-(2-isothiocyanatoethyl)benzene Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN=C=S)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN=C=S)OCC

InChI

InChI=1S/C13H17NO2S/c1-3-15-12-6-5-11(7-8-14-10-17)9-13(12)16-4-2/h5-6,9H,3-4,7-8H2,1-2H3