2-[(3,4-dimethylphenyl)-ethyl-amino]ethanesulfinate

Systemtic Name: 2-[(3,4-dimethylphenyl)-ethyl-amino]ethanesulfinate Openeye Name: 2-(N-ethyl-3,4-dimethyl-anilino)ethanesulfinate CAS Name: 2-(N-ethyl-3,4-dimethylanilino)ethanesulfinate IUPAC Name: 2-(N-ethyl-3,4-dimethylanilino)ethanesulfinate Traditional Name: 2-(N-ethyl-3,4-dimethyl-anilino)ethanesulfinate Formula: C12H18NO2S- MolecularWeight: 240.34182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCS(=O)[O-])C1=CC(=C(C=C1)C)C

Isomeric SMILES

CCN(CCS(=O)[O-])C1=CC(=C(C=C1)C)C

InChI

InChI=1S/C12H19NO2S/c1-4-13(7-8-16(14)15)12-6-5-10(2)11(3)9-12/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)/p-1