2-(2-diethylaminoethylsulfanyl)benzoic acid; ethanoic acid

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)benzoic acid; ethanoic acid Openeye Name: acetic acid; 2-(2-diethylaminoethylsulfanyl)benzoic acid CAS Name: acetic acid; 2-(2-diethylaminoethylthio)benzoic acid IUPAC Name: acetic acid; 2-(2-diethylaminoethylsulfanyl)benzoic acid Traditional Name: acetic acid; 2-(2-diethylaminoethylthio)benzoic acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=CC=CC=C1C(=O)O.CC(=O)O

Isomeric SMILES

CCN(CC)CCSC1=CC=CC=C1C(=O)O.CC(=O)O

InChI

InChI=1S/C13H19NO2S.C2H4O2/c1-3-14(4-2)9-10-17-12-8-6-5-7-11(12)13(15)16;1-2(3)4/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);1H3,(H,3,4)