methylbenzene diphosphate

Systemtic Name: methylbenzene diphosphate Openeye Name: toluene diphosphate CAS Name: toluene diphosphate IUPAC Name: toluene diphosphate Traditional Name: toluene diphosphate Formula: C28H32O8P2-6 MolecularWeight: 558.496402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/4C7H8.2H3O4P/c4*1-7-5-3-2-4-6-7;2*1-5(2,3)4/h4*2-6H,1H3;2*(H3,1,2,3,4)/p-6