1-(3-oxidanyl-3,3-diphosphonato-propyl)-3-phenyl-urea

Systemtic Name: 1-(3-oxidanyl-3,3-diphosphonato-propyl)-3-phenyl-urea Openeye Name: 1-(3-hydroxy-3,3-diphosphonato-propyl)-3-phenyl-urea CAS Name: 1-(3-hydroxy-3,3-diphosphonatopropyl)-3-phenylurea IUPAC Name: 1-(3-hydroxy-3,3-diphosphonatopropyl)-3-phenylurea Traditional Name: 1-(3-hydroxy-3,3-diphosphonato-propyl)-3-phenyl-urea Formula: C10H12N2O8P2-4 MolecularWeight: 350.158402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C10H16N2O8P2/c13-9(12-8-4-2-1-3-5-8)11-7-6-10(14,21(15,16)17)22(18,19)20/h1-5,14H,6-7H2,(H2,11,12,13)(H2,15,16,17)(H2,18,19,20)/p-4