(4-isothiocyanatophenyl)methylphosphonic acid

Systemtic Name: (4-isothiocyanatophenyl)methylphosphonic acid Openeye Name: (4-isothiocyanatophenyl)methylphosphonic acid CAS Name: (4-isothiocyanatophenyl)methylphosphonic acid IUPAC Name: (4-isothiocyanatophenyl)methylphosphonic acid Traditional Name: (4-isothiocyanatobenzyl)phosphonic acid Formula: C8H8NO3PS MolecularWeight: 229.192781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CP(=O)(O)O)N=C=S

Isomeric SMILES

C1=CC(=CC=C1CP(=O)(O)O)N=C=S

InChI

InChI=1S/C8H8NO3PS/c10-13(11,12)5-7-1-3-8(4-2-7)9-6-14/h1-4H,5H2,(H2,10,11,12)