cyclopropane; [3-[methyl(phenylsulfanyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: cyclopropane; [3-[methyl(phenylsulfanyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: cyclopropane; [1-hydroxy-3-[methyl(phenylsulfanyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: cyclopropane; [1-hydroxy-3-[methyl-(phenylthio)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: cyclopropane; [1-hydroxy-3-[methyl(phenylsulfanyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: cyclopropane; [1-hydroxy-3-[methyl-(phenylthio)amino]-1-phosphono-propyl]phosphonic acid Formula: C13H23NO7P2S MolecularWeight: 399.336742

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)SC1=CC=CC=C1.C1CC1

Isomeric SMILES

CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)SC1=CC=CC=C1.C1CC1

InChI

InChI=1S/C10H17NO7P2S.C3H6/c1-11(21-9-5-3-2-4-6-9)8-7-10(12,19(13,14)15)20(16,17)18;1-2-3-1/h2-6,12H,7-8H2,1H3,(H2,13,14,15)(H2,16,17,18);1-3H2