1,4-dimethylbenzene; diphosphono hydrogen phosphate

Systemtic Name: 1,4-dimethylbenzene; diphosphono hydrogen phosphate Openeye Name: diphosphono hydrogen phosphate; p-xylene CAS Name: diphosphono hydrogen phosphate; 1,4-xylene IUPAC Name: diphosphono hydrogen phosphate; 1,4-xylene Traditional Name: diphosphono hydrogen phosphate; p-xylene Formula: C8H15O10P3 MolecularWeight: 364.119983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C.OP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)C.OP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C8H10.H5O10P3/c1-7-3-5-8(2)6-4-7;1-11(2,3)9-13(7,8)10-12(4,5)6/h3-6H,1-2H3;(H,7,8)(H2,1,2,3)(H2,4,5,6)