[4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]phosphonic acid

Systemtic Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]phosphonic acid Openeye Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]phosphonic acid CAS Name: [4-[[3-(2-chloroethylthio)-1-oxopropyl]amino]phenyl]phosphonic acid IUPAC Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]phosphonic acid Traditional Name: [4-[3-(2-chloroethylthio)propanoylamino]phenyl]phosphonic acid Formula: C11H15ClNO4PS MolecularWeight: 323.732861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCSCCCl)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCSCCCl)P(=O)(O)O

InChI

InChI=1S/C11H15ClNO4PS/c12-6-8-19-7-5-11(14)13-9-1-3-10(4-2-9)18(15,16)17/h1-4H,5-8H2,(H,13,14)(H2,15,16,17)