[2-[methyl(2-phenylsulfanylethyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [2-[methyl(2-phenylsulfanylethyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-2-[methyl(2-phenylsulfanylethyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-[methyl-[2-(phenylthio)ethyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[methyl(2-phenylsulfanylethyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-2-[methyl-[2-(phenylthio)ethyl]amino]-1-phosphono-propyl]phosphonic acid Formula: C12H21NO7P2S MolecularWeight: 385.310162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCSC1=CC=CC=C1

Isomeric SMILES

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCSC1=CC=CC=C1

InChI

InChI=1S/C12H21NO7P2S/c1-10(12(14,21(15,16)17)22(18,19)20)13(2)8-9-23-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H2,15,16,17)(H2,18,19,20)