[3-[2-[(4-nitrophenyl)amino]-4-phenyl-1,3-thiazol-3-ium-3-yl]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[2-[(4-nitrophenyl)amino]-4-phenyl-1,3-thiazol-3-ium-3-yl]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[2-(4-nitroanilino)-4-phenyl-thiazol-3-ium-3-yl]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[2-(4-nitroanilino)-4-phenyl-3-thiazol-3-iumyl]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[2-(4-nitroanilino)-4-phenyl-1,3-thiazol-3-ium-3-yl]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[2-(4-nitroanilino)-4-phenyl-thiazol-3-ium-3-yl]-1-phosphono-propyl]phosphonic acid Formula: C18H20N3O9P2S+ MolecularWeight: 516.378622

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O9P2S/c22-18(31(25,26)27,32(28,29)30)10-11-20-16(13-4-2-1-3-5-13)12-33-17(20)19-14-6-8-15(9-7-14)21(23)24/h1-9,12,22H,10-11H2,(H4,25,26,27,28,29,30)/p+1