3-(4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)-1,1-diphosphonato-propan-1-ol

Systemtic Name: 3-(4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)-1,1-diphosphonato-propan-1-ol Openeye Name: 3-(2-anilino-4-phenyl-thiazol-3-ium-3-yl)-1,1-diphosphonato-propan-1-ol CAS Name: 3-(2-anilino-4-phenyl-3-thiazol-3-iumyl)-1,1-diphosphonato-1-propanol IUPAC Name: 3-(2-anilino-4-phenyl-1,3-thiazol-3-ium-3-yl)-1,1-diphosphonatopropan-1-ol Traditional Name: 3-(2-anilino-4-phenyl-thiazol-3-ium-3-yl)-1,1-diphosphonato-propan-1-ol Formula: C18H17N2O7P2S-3 MolecularWeight: 467.349302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=[N+]2CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=[N+]2CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])NC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O7P2S/c21-18(28(22,23)24,29(25,26)27)11-12-20-16(14-7-3-1-4-8-14)13-30-17(20)19-15-9-5-2-6-10-15/h1-10,13,21H,11-12H2,(H4,22,23,24,25,26,27)/p-3