3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzenesulfonic acid

Systemtic Name: 3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzenesulfonic acid Openeye Name: 3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzenesulfonic acid CAS Name: 3-(dimethylaminomethyl)-4-[4-(methylthio)phenoxy]benzenesulfonic acid IUPAC Name: 3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzenesulfonic acid Traditional Name: 3-(dimethylaminomethyl)-4-[4-(methylthio)phenoxy]besylic acid Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1)S(=O)(=O)O)OC2=CC=C(C=C2)SC

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)S(=O)(=O)O)OC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H19NO4S2/c1-17(2)11-12-10-15(23(18,19)20)8-9-16(12)21-13-4-6-14(22-3)7-5-13/h4-10H,11H2,1-3H3,(H,18,19,20)