[[(4-methylphenyl)methylamino]-(4-methylsulfanylphenyl)methyl]phosphonic acid

Systemtic Name: [[(4-methylphenyl)methylamino]-(4-methylsulfanylphenyl)methyl]phosphonic acid Openeye Name: [(4-methylsulfanylphenyl)-(p-tolylmethylamino)methyl]phosphonic acid CAS Name: [[(4-methylphenyl)methylamino]-[4-(methylthio)phenyl]methyl]phosphonic acid IUPAC Name: [[(4-methylphenyl)methylamino]-(4-methylsulfanylphenyl)methyl]phosphonic acid Traditional Name: [[(4-methylbenzyl)amino]-[4-(methylthio)phenyl]methyl]phosphonic acid Formula: C16H20NO3PS MolecularWeight: 337.373661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(C2=CC=C(C=C2)SC)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(C2=CC=C(C=C2)SC)P(=O)(O)O

InChI

InChI=1S/C16H20NO3PS/c1-12-3-5-13(6-4-12)11-17-16(21(18,19)20)14-7-9-15(22-2)10-8-14/h3-10,16-17H,11H2,1-2H3,(H2,18,19,20)