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

Systemtic Name: 4-[2-(4-methylphenyl)sulfanylethyl]pyridine; phosphoric acid Openeye Name: phosphoric acid; 4-[2-(p-tolylsulfanyl)ethyl]pyridine CAS Name: 4-[2-[(4-methylphenyl)thio]ethyl]pyridine; phosphoric acid IUPAC Name: 4-[2-(4-methylphenyl)sulfanylethyl]pyridine; phosphoric acid Traditional Name: phosphoric acid; 4-[2-(p-tolylthio)ethyl]pyridine Formula: C14H18NO4PS MolecularWeight: 327.335781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC2=CC=NC=C2.OP(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC2=CC=NC=C2.OP(=O)(O)O

InChI

InChI=1S/C14H15NS.H3O4P/c1-12-2-4-14(5-3-12)16-11-8-13-6-9-15-10-7-13;1-5(2,3)4/h2-7,9-10H,8,11H2,1H3;(H3,1,2,3,4)