2-(cyanomethyl)-4,5-dimethoxy-benzenesulfinic acid hydrochloride

Systemtic Name: 2-(cyanomethyl)-4,5-dimethoxy-benzenesulfinic acid hydrochloride Openeye Name: 2-(cyanomethyl)-4,5-dimethoxy-benzenesulfinic acid hydrochloride CAS Name: 2-(cyanomethyl)-4,5-dimethoxybenzenesulfinic acid hydrochloride IUPAC Name: 2-(cyanomethyl)-4,5-dimethoxybenzenesulfinic acid hydrochloride Traditional Name: 2-(cyanomethyl)-4,5-dimethoxy-benzenesulfinic acid hydrochloride Formula: C10H12ClNO4S MolecularWeight: 277.72458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC#N)S(=O)O)OC.Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)CC#N)S(=O)O)OC.Cl

InChI

InChI=1S/C10H11NO4S.ClH/c1-14-8-5-7(3-4-11)10(16(12)13)6-9(8)15-2;/h5-6H,3H2,1-2H3,(H,12,13);1H