4-(2-phenethylsulfanylethyl)pyridine; phosphoric acid

Systemtic Name: 4-(2-phenethylsulfanylethyl)pyridine; phosphoric acid Openeye Name: 4-(2-phenethylsulfanylethyl)pyridine; phosphoric acid CAS Name: 4-[2-(phenethylthio)ethyl]pyridine; phosphoric acid IUPAC Name: 4-(2-phenethylsulfanylethyl)pyridine; phosphoric acid Traditional Name: 4-[2-(phenethylthio)ethyl]pyridine; phosphoric acid Formula: C15H20NO4PS MolecularWeight: 341.362361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSCCC2=CC=NC=C2.OP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCSCCC2=CC=NC=C2.OP(=O)(O)O

InChI

InChI=1S/C15H17NS.H3O4P/c1-2-4-14(5-3-1)8-12-17-13-9-15-6-10-16-11-7-15;1-5(2,3)4/h1-7,10-11H,8-9,12-13H2;(H3,1,2,3,4)