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

Systemtic Name: 2-(cyanomethyl)-4,5-dimethoxy-benzenesulfinic acid Openeye Name: 2-(cyanomethyl)-4,5-dimethoxy-benzenesulfinic acid CAS Name: 2-(cyanomethyl)-4,5-dimethoxybenzenesulfinic acid IUPAC Name: 2-(cyanomethyl)-4,5-dimethoxybenzenesulfinic acid Traditional Name: 2-(cyanomethyl)-4,5-dimethoxy-benzenesulfinic acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4S/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)