disodium 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromanyl-2-phosphonato-phenyl)urea

Systemtic Name: disodium 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromanyl-2-phosphonato-phenyl)urea Openeye Name: disodium 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromo-2-phosphonato-phenyl)urea CAS Name: disodium 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromo-2-phosphonatophenyl)urea IUPAC Name: disodium 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromo-2-phosphonatophenyl)urea Traditional Name: disodium 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromo-2-phosphonato-phenyl)urea Formula: C15H8BrF6N2Na2O4P MolecularWeight: 551.08274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)P(=O)([O-])[O-])NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Br)P(=O)([O-])[O-])NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.[Na+].[Na+]

InChI

InChI=1S/C15H10BrF6N2O4P.2Na/c16-9-1-2-11(12(6-9)29(26,27)28)24-13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22;;/h1-6H,(H2,23,24,25)(H2,26,27,28);;/q;2*+1/p-2