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

Systemtic Name: [1,3-benzothiazol-2-ylsulfanyl(phosphono)methyl]phosphonic acid Openeye Name: [1,3-benzothiazol-2-ylsulfanyl(phosphono)methyl]phosphonic acid CAS Name: [(1,3-benzothiazol-2-ylthio)-phosphonomethyl]phosphonic acid IUPAC Name: [1,3-benzothiazol-2-ylsulfanyl(phosphono)methyl]phosphonic acid Traditional Name: [(1,3-benzothiazol-2-ylthio)-phosphono-methyl]phosphonic acid Formula: C8H9NO6P2S2 MolecularWeight: 341.237682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO6P2S2/c10-16(11,12)8(17(13,14)15)19-7-9-5-3-1-2-4-6(5)18-7/h1-4,8H,(H2,10,11,12)(H2,13,14,15)