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

Systemtic Name: 1-(3-oxidanyl-3,3-diphosphonato-propyl)-3-phenyl-thiourea Openeye Name: 1-(3-hydroxy-3,3-diphosphonato-propyl)-3-phenyl-thiourea CAS Name: 1-(3-hydroxy-3,3-diphosphonatopropyl)-3-phenylthiourea IUPAC Name: 1-(3-hydroxy-3,3-diphosphonatopropyl)-3-phenylthiourea Traditional Name: 1-(3-hydroxy-3,3-diphosphonato-propyl)-3-phenyl-thiourea Formula: C10H12N2O7P2S-4 MolecularWeight: 366.224002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N2O7P2S/c13-10(20(14,15)16,21(17,18)19)6-7-11-9(22)12-8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H2,11,12,22)(H2,14,15,16)(H2,17,18,19)/p-4