(1-bromanyl-2,2-dimethyl-3-oxidanyl-propyl) hypobromite; diphenyl hydrogen phosphate

Systemtic Name: (1-bromanyl-2,2-dimethyl-3-oxidanyl-propyl) hypobromite; diphenyl hydrogen phosphate Openeye Name: (1-bromo-3-hydroxy-2,2-dimethyl-propyl) hypobromite; diphenyl hydrogen phosphate CAS Name: diphenyl hydrogen phosphate; hypobromous acid (1-bromo-3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: (1-bromo-3-hydroxy-2,2-dimethylpropyl) hypobromite; diphenyl hydrogen phosphate Traditional Name: diphenyl hydrogen phosphate; hypobromous acid (1-bromo-3-hydroxy-2,2-dimethyl-propyl) ester Formula: C29H32Br2O10P2 MolecularWeight: 762.313902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(OBr)Br.C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2.C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(CO)C(OBr)Br.C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2.C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2

InChI

InChI=1S/2C12H11O4P.C5H10Br2O2/c2*13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-5(2,3-8)4(6)9-7/h2*1-10H,(H,13,14);4,8H,3H2,1-2H3