[(2-phenethylsulfanylethylamino)-phosphono-methyl]phosphonic acid

Systemtic Name: [(2-phenethylsulfanylethylamino)-phosphono-methyl]phosphonic acid Openeye Name: [(2-phenethylsulfanylethylamino)-phosphono-methyl]phosphonic acid CAS Name: [[2-(phenethylthio)ethylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [(2-phenethylsulfanylethylamino)-phosphonomethyl]phosphonic acid Traditional Name: [[2-(phenethylthio)ethylamino]-phosphono-methyl]phosphonic acid Formula: C11H19NO6P2S MolecularWeight: 355.284182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSCCNC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCSCCNC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H19NO6P2S/c13-19(14,15)11(20(16,17)18)12-7-9-21-8-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,13,14,15)(H2,16,17,18)