[(1,3-benzothiazol-2-ylamino)-phosphono-methyl]phosphonic acid

Systemtic Name: [(1,3-benzothiazol-2-ylamino)-phosphono-methyl]phosphonic acid Openeye Name: [(1,3-benzothiazol-2-ylamino)-phosphono-methyl]phosphonic acid CAS Name: [(1,3-benzothiazol-2-ylamino)-phosphonomethyl]phosphonic acid IUPAC Name: [(1,3-benzothiazol-2-ylamino)-phosphonomethyl]phosphonic acid Traditional Name: [(1,3-benzothiazol-2-ylamino)-phosphono-methyl]phosphonic acid Formula: C8H10N2O6P2S MolecularWeight: 324.187322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H10N2O6P2S/c11-17(12,13)8(18(14,15)16)10-7-9-5-3-1-2-4-6(5)19-7/h1-4,8H,(H,9,10)(H2,11,12,13)(H2,14,15,16)