isothiocyanato-(2,4,5-trimethoxyphenyl)methanone

Systemtic Name: isothiocyanato-(2,4,5-trimethoxyphenyl)methanone Openeye Name: 2,4,5-trimethoxybenzoyl isothiocyanate CAS Name: isothiocyanato-(2,4,5-trimethoxyphenyl)methanone IUPAC Name: 2,4,5-trimethoxybenzoyl isothiocyanate Traditional Name: asaryl(isothiocyanato)methanone Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)N=C=S)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N=C=S)OC)OC

InChI

InChI=1S/C11H11NO4S/c1-14-8-5-10(16-3)9(15-2)4-7(8)11(13)12-6-17/h4-5H,1-3H3