(3,4-dimethoxyphenyl)-isothiocyanato-methanone

Systemtic Name: (3,4-dimethoxyphenyl)-isothiocyanato-methanone Openeye Name: 3,4-dimethoxybenzoyl isothiocyanate CAS Name: (3,4-dimethoxyphenyl)-isothiocyanatomethanone IUPAC Name: 3,4-dimethoxybenzoyl isothiocyanate Traditional Name: (3,4-dimethoxyphenyl)-isothiocyanato-methanone Formula: C10H9NO3S MolecularWeight: 223.24836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N=C=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N=C=S)OC

InChI

InChI=1S/C10H9NO3S/c1-13-8-4-3-7(5-9(8)14-2)10(12)11-6-15/h3-5H,1-2H3