4-[2-(4-bromophenyl)sulfanylethyl]pyridine; phosphoric acid

Systemtic Name: 4-[2-(4-bromophenyl)sulfanylethyl]pyridine; phosphoric acid Openeye Name: 4-[2-(4-bromophenyl)sulfanylethyl]pyridine; phosphoric acid CAS Name: 4-[2-[(4-bromophenyl)thio]ethyl]pyridine; phosphoric acid IUPAC Name: 4-[2-(4-bromophenyl)sulfanylethyl]pyridine; phosphoric acid Traditional Name: 4-[2-[(4-bromophenyl)thio]ethyl]pyridine; phosphoric acid Formula: C13H15BrNO4PS MolecularWeight: 392.205261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC2=CC=NC=C2)Br.OP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1SCCC2=CC=NC=C2)Br.OP(=O)(O)O

InChI

InChI=1S/C13H12BrNS.H3O4P/c14-12-1-3-13(4-2-12)16-10-7-11-5-8-15-9-6-11;1-5(2,3)4/h1-6,8-9H,7,10H2;(H3,1,2,3,4)