4-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzoic acid

Systemtic Name: 4-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzoic acid Openeye Name: 4-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzoic acid CAS Name: 4-(5,6,7,8-tetrahydroquinolin-8-ylthio)benzoic acid IUPAC Name: 4-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzoic acid Traditional Name: 4-(5,6,7,8-tetrahydroquinolin-8-ylthio)benzoic acid Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C=CC=N2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC(C2=C(C1)C=CC=N2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H15NO2S/c18-16(19)12-6-8-13(9-7-12)20-14-5-1-3-11-4-2-10-17-15(11)14/h2,4,6-10,14H,1,3,5H2,(H,18,19)