2,3-diphosphonobenzenesulfonic acid phosphate

Systemtic Name: 2,3-diphosphonobenzenesulfonic acid phosphate Openeye Name: 2,3-diphosphonobenzenesulfonic acid phosphate CAS Name: 2,3-diphosphonobenzenesulfonic acid phosphate IUPAC Name: 2,3-diphosphonobenzenesulfonic acid phosphate Traditional Name: 2,3-diphosphonobesylic acid phosphate Formula: C6H8O13P3S-3 MolecularWeight: 413.106203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)O)P(=O)(O)O)P(=O)(O)O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)O)P(=O)(O)O)P(=O)(O)O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C6H8O9P2S.H3O4P/c7-16(8,9)4-2-1-3-5(18(13,14)15)6(4)17(10,11)12;1-5(2,3)4/h1-3H,(H2,7,8,9)(H2,10,11,12)(H,13,14,15);(H3,1,2,3,4)/p-3