oxidanyl-[1-oxidanyl-3-(4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)-1-phosphono-propyl]phosphinate hydrate

Systemtic Name: oxidanyl-[1-oxidanyl-3-(4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)-1-phosphono-propyl]phosphinate hydrate Openeye Name: [3-(2-anilino-4-phenyl-thiazol-3-ium-3-yl)-1-hydroxy-1-phosphono-propyl]-hydroxy-phosphinate hydrate CAS Name: [3-(2-anilino-4-phenyl-3-thiazol-3-iumyl)-1-hydroxy-1-phosphonopropyl]-hydroxyphosphinate hydrate IUPAC Name: [3-(2-anilino-4-phenyl-1,3-thiazol-3-ium-3-yl)-1-hydroxy-1-phosphonopropyl]-hydroxyphosphinate hydrate Traditional Name: [3-(2-anilino-4-phenyl-thiazol-3-ium-3-yl)-1-hydroxy-1-phosphono-propyl]-hydroxy-phosphinate hydrate Formula: C18H22N2O8P2S MolecularWeight: 488.388402

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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.O

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7P2S.H2O/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);1H2