3-(2-aminophenyl)sulfanylpentan-3-ylphosphonic acid

Systemtic Name: 3-(2-aminophenyl)sulfanylpentan-3-ylphosphonic acid Openeye Name: [1-(2-aminophenyl)sulfanyl-1-ethyl-propyl]phosphonic acid CAS Name: 3-[(2-aminophenyl)thio]pentan-3-ylphosphonic acid IUPAC Name: 3-(2-aminophenyl)sulfanylpentan-3-ylphosphonic acid Traditional Name: [1-[(2-aminophenyl)thio]-1-ethyl-propyl]phosphonic acid Formula: C11H18NO3PS MolecularWeight: 275.304281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(P(=O)(O)O)SC1=CC=CC=C1N

Isomeric SMILES

CCC(CC)(P(=O)(O)O)SC1=CC=CC=C1N

InChI

InChI=1S/C11H18NO3PS/c1-3-11(4-2,16(13,14)15)17-10-8-6-5-7-9(10)12/h5-8H,3-4,12H2,1-2H3,(H2,13,14,15)