2-(azaniumylmethyl)-4,5-dimethoxy-benzenethiolate

Systemtic Name: 2-(azaniumylmethyl)-4,5-dimethoxy-benzenethiolate Openeye Name: 2-(azaniumylmethyl)-4,5-dimethoxy-benzenethiolate CAS Name: 2-(ammoniomethyl)-4,5-dimethoxybenzenethiolate IUPAC Name: 2-(azaniumylmethyl)-4,5-dimethoxybenzenethiolate Traditional Name: 2-(ammoniomethyl)-4,5-dimethoxy-benzenethiolate Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH3+])[S-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH3+])[S-])OC

InChI

InChI=1S/C9H13NO2S/c1-11-7-3-6(5-10)9(13)4-8(7)12-2/h3-4,13H,5,10H2,1-2H3