[3-[[methylsulfanyl(phenylazanyl)methylidene]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[[methylsulfanyl(phenylazanyl)methylidene]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[[anilino(methylsulfanyl)methylene]amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[[anilino-(methylthio)methylidene]amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[[anilino(methylsulfanyl)methylidene]amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[[anilino-(methylthio)methylene]amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C11H18N2O7P2S MolecularWeight: 384.282342

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCC(O)(P(=O)(O)O)P(=O)(O)O)NC1=CC=CC=C1

Isomeric SMILES

CSC(=NCCC(O)(P(=O)(O)O)P(=O)(O)O)NC1=CC=CC=C1

InChI

InChI=1S/C11H18N2O7P2S/c1-23-10(13-9-5-3-2-4-6-9)12-8-7-11(14,21(15,16)17)22(18,19)20/h2-6,14H,7-8H2,1H3,(H,12,13)(H2,15,16,17)(H2,18,19,20)