2-(dimethylaminomethyl)-3-sulfanyl-benzoic acid

Systemtic Name: 2-(dimethylaminomethyl)-3-sulfanyl-benzoic acid Openeye Name: 2-(dimethylaminomethyl)-3-sulfanyl-benzoic acid CAS Name: 2-(dimethylaminomethyl)-3-mercaptobenzoic acid IUPAC Name: 2-(dimethylaminomethyl)-3-sulfanylbenzoic acid Traditional Name: 2-(dimethylaminomethyl)-3-mercapto-benzoic acid Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC=C1S)C(=O)O

Isomeric SMILES

CN(C)CC1=C(C=CC=C1S)C(=O)O

InChI

InChI=1S/C10H13NO2S/c1-11(2)6-8-7(10(12)13)4-3-5-9(8)14/h3-5,14H,6H2,1-2H3,(H,12,13)