[4-(ethanethioylamino)-2-phosphono-phenyl]phosphonic acid

Systemtic Name: [4-(ethanethioylamino)-2-phosphono-phenyl]phosphonic acid Openeye Name: [4-(ethanethioylamino)-2-phosphono-phenyl]phosphonic acid CAS Name: [2-phosphono-4-(1-sulfanylideneethylamino)phenyl]phosphonic acid IUPAC Name: [4-(ethanethioylamino)-2-phosphonophenyl]phosphonic acid Traditional Name: [2-phosphono-4-(thioacetylamino)phenyl]phosphonic acid Formula: C8H11NO6P2S MolecularWeight: 311.188562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=CC(=C(C=C1)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=S)NC1=CC(=C(C=C1)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H11NO6P2S/c1-5(18)9-6-2-3-7(16(10,11)12)8(4-6)17(13,14)15/h2-4H,1H3,(H,9,18)(H2,10,11,12)(H2,13,14,15)