[1-azanyl-2-(4-methylphenyl)sulfanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-azanyl-2-(4-methylphenyl)sulfanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-amino-1-phosphono-2-(p-tolylsulfanyl)ethyl]phosphonic acid CAS Name: [1-amino-2-[(4-methylphenyl)thio]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-amino-2-(4-methylphenyl)sulfanyl-1-phosphonoethyl]phosphonic acid Traditional Name: [1-amino-1-phosphono-2-(p-tolylthio)ethyl]phosphonic acid Formula: C9H15NO6P2S MolecularWeight: 327.231022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H15NO6P2S/c1-7-2-4-8(5-3-7)19-6-9(10,17(11,12)13)18(14,15)16/h2-5H,6,10H2,1H3,(H2,11,12,13)(H2,14,15,16)