3-[3-(dimethylaminomethyl)phenyl]sulfanylbenzoic acid

Systemtic Name: 3-[3-(dimethylaminomethyl)phenyl]sulfanylbenzoic acid Openeye Name: 3-[3-(dimethylaminomethyl)phenyl]sulfanylbenzoic acid CAS Name: 3-[[3-(dimethylaminomethyl)phenyl]thio]benzoic acid IUPAC Name: 3-[3-(dimethylaminomethyl)phenyl]sulfanylbenzoic acid Traditional Name: 3-[[3-(dimethylaminomethyl)phenyl]thio]benzoic acid Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)SC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)SC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H17NO2S/c1-17(2)11-12-5-3-7-14(9-12)20-15-8-4-6-13(10-15)16(18)19/h3-10H,11H2,1-2H3,(H,18,19)