1,3-bis[(4-bromophenyl)-phosphonato-methyl]urea

Systemtic Name: 1,3-bis[(4-bromophenyl)-phosphonato-methyl]urea Openeye Name: 1,3-bis[(4-bromophenyl)-phosphonato-methyl]urea CAS Name: 1,3-bis[(4-bromophenyl)-phosphonatomethyl]urea IUPAC Name: 1,3-bis[(4-bromophenyl)-phosphonatomethyl]urea Traditional Name: 1,3-bis[(4-bromophenyl)-phosphonato-methyl]urea Formula: C15H12Br2N2O7P2-4 MolecularWeight: 554.020502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(NC(=O)NC(C2=CC=C(C=C2)Br)P(=O)([O-])[O-])P(=O)([O-])[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(NC(=O)NC(C2=CC=C(C=C2)Br)P(=O)([O-])[O-])P(=O)([O-])[O-])Br

InChI

InChI=1S/C15H16Br2N2O7P2/c16-11-5-1-9(2-6-11)13(27(21,22)23)18-15(20)19-14(28(24,25)26)10-3-7-12(17)8-4-10/h1-8,13-14H,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/p-4