hexaphene tetraphosphate

Systemtic Name: hexaphene tetraphosphate Openeye Name: hexaphene tetraphosphate CAS Name: hexaphene tetraphosphate IUPAC Name: hexaphene tetraphosphate Traditional Name: hexaphene tetraphosphate Formula: C26H16O16P4-12 MolecularWeight: 708.290684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C=CC4=CC5=CC6=CC=CC=C6C=C5C=C43.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C=CC4=CC5=CC6=CC=CC=C6C=C5C=C43.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C26H16.4H3O4P/c1-2-7-19-13-24-16-26-22(14-23(24)12-18(19)6-1)10-9-21-11-17-5-3-4-8-20(17)15-25(21)26;4*1-5(2,3)4/h1-16H;4*(H3,1,2,3,4)/p-12