[3-[methyl(1-phenylsulfanylbutyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[methyl(1-phenylsulfanylbutyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[methyl(1-phenylsulfanylbutyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[methyl-[1-(phenylthio)butyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[methyl(1-phenylsulfanylbutyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[methyl-[1-(phenylthio)butyl]amino]-1-phosphono-propyl]phosphonic acid Formula: C14H25NO7P2S MolecularWeight: 413.363322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N(C)CCC(O)(P(=O)(O)O)P(=O)(O)O)SC1=CC=CC=C1

Isomeric SMILES

CCCC(N(C)CCC(O)(P(=O)(O)O)P(=O)(O)O)SC1=CC=CC=C1

InChI

InChI=1S/C14H25NO7P2S/c1-3-7-13(25-12-8-5-4-6-9-12)15(2)11-10-14(16,23(17,18)19)24(20,21)22/h4-6,8-9,13,16H,3,7,10-11H2,1-2H3,(H2,17,18,19)(H2,20,21,22)