4-(2-diethylaminoethylsulfanyl)benzoic acid

Systemtic Name: 4-(2-diethylaminoethylsulfanyl)benzoic acid Openeye Name: 4-(2-diethylaminoethylsulfanyl)benzoic acid CAS Name: 4-(2-diethylaminoethylthio)benzoic acid IUPAC Name: 4-(2-diethylaminoethylsulfanyl)benzoic acid Traditional Name: 4-(2-diethylaminoethylthio)benzoic acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCN(CC)CCSC1=CC=C(C=C1)C(=O)O

InChI

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