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

Systemtic Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]arsonic acid Openeye Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]arsonic acid CAS Name: [4-[[4-(2-chloroethylthio)-1-oxobutyl]amino]phenyl]arsonic acid IUPAC Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]arsonic acid Traditional Name: [4-[4-(2-chloroethylthio)butanoylamino]phenyl]arsonic acid Formula: C12H17AsClNO4S MolecularWeight: 381.70728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCCSCCCl)[As](=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCCSCCCl)[As](=O)(O)O

InChI

InChI=1S/C12H17AsClNO4S/c14-7-9-20-8-1-2-12(16)15-11-5-3-10(4-6-11)13(17,18)19/h3-6H,1-2,7-9H2,(H,15,16)(H2,17,18,19)