(4-methylphenyl) hypobromite; phosphoric acid

Systemtic Name: (4-methylphenyl) hypobromite; phosphoric acid Openeye Name: phosphoric acid; p-tolyl hypobromite CAS Name: hypobromous acid (4-methylphenyl) ester; phosphoric acid IUPAC Name: (4-methylphenyl) hypobromite; phosphoric acid Traditional Name: hypobromous acid p-tolyl ester; phosphoric acid Formula: C21H24Br3O7P MolecularWeight: 659.096821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C7H7BrO.H3O4P/c3*1-6-2-4-7(9-8)5-3-6;1-5(2,3)4/h3*2-5H,1H3;(H3,1,2,3,4)