2-[3-[2-[ethyl-(3-methylphenyl)amino]ethylamino]propylamino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[3-[2-[ethyl-(3-methylphenyl)amino]ethylamino]propylamino]ethylsulfanylphosphonic acid Openeye Name: 2-[3-[2-(N-ethyl-3-methyl-anilino)ethylamino]propylamino]ethylsulfanylphosphonic acid CAS Name: [2-[3-[2-(N-ethyl-3-methylanilino)ethylamino]propylamino]ethylthio]phosphonic acid IUPAC Name: 2-[3-[2-(N-ethyl-3-methylanilino)ethylamino]propylamino]ethylsulfanylphosphonic acid Traditional Name: [2-[3-[2-(N-ethyl-3-methyl-anilino)ethylamino]propylamino]ethylthio]phosphonic acid Formula: C16H30N3O3PS MolecularWeight: 375.466461

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNCCCNCCSP(=O)(O)O)C1=CC=CC(=C1)C

Isomeric SMILES

CCN(CCNCCCNCCSP(=O)(O)O)C1=CC=CC(=C1)C

InChI

InChI=1S/C16H30N3O3PS/c1-3-19(16-7-4-6-15(2)14-16)12-10-17-8-5-9-18-11-13-24-23(20,21)22/h4,6-7,14,17-18H,3,5,8-13H2,1-2H3,(H2,20,21,22)