isothiocyanato-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: isothiocyanato-(3,4,5-trimethoxyphenyl)methanone Openeye Name: 3,4,5-trimethoxybenzoyl isothiocyanate CAS Name: isothiocyanato-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: 3,4,5-trimethoxybenzoyl isothiocyanate Traditional Name: isothiocyanato-(3,4,5-trimethoxyphenyl)methanone Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N=C=S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C=S

InChI

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