[4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]phosphonic acid

Systemtic Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]phosphonic acid Openeye Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]phosphonic acid CAS Name: [4-[[4-(2-chloroethylthio)-1-oxobutyl]amino]phenyl]phosphonic acid IUPAC Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]phosphonic acid Traditional Name: [4-[4-(2-chloroethylthio)butanoylamino]phenyl]phosphonic acid Formula: C12H17ClNO4PS MolecularWeight: 337.759441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClNO4PS/c13-7-9-20-8-1-2-12(15)14-10-3-5-11(6-4-10)19(16,17)18/h3-6H,1-2,7-9H2,(H,14,15)(H2,16,17,18)