[(1S,2R,3R,4S,5S,6R)-2-[(2-nitrophenyl)methoxy-oxidanyl-phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] (2-nitrophenyl)methyl hydrogen phosphate

Systemtic Name: [(1S,2R,3R,4S,5S,6R)-2-[(2-nitrophenyl)methoxy-oxidanyl-phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] (2-nitrophenyl)methyl hydrogen phosphate Openeye Name: [(1S,2R,3R,4S,5S,6R)-2-[hydroxy-[(2-nitrophenyl)methoxy]phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] (2-nitrophenyl)methyl hydrogen phosphate CAS Name: [(1S,2R,3R,4S,5S,6R)-2-[hydroxy-[(2-nitrophenyl)methoxy]phosphoryl]oxy-3,4,5,6-tetraphosphonooxycyclohexyl] (2-nitrophenyl)methyl hydrogen phosphate IUPAC Name: [(1S,2R,3R,4S,5S,6R)-2-[hydroxy-[(2-nitrophenyl)methoxy]phosphoryl]oxy-3,4,5,6-tetraphosphonooxycyclohexyl] (2-nitrophenyl)methyl hydrogen phosphate Traditional Name: [(1S,2R,3R,4S,5S,6R)-2-[hydroxy-(2-nitrobenzyl)oxy-phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] (2-nitrobenzyl) hydrogen phosphate Formula: C20H28N2O28P6 MolecularWeight: 930.275486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COP(=O)(O)OC2C(C(C(C(C2OP(=O)(O)OCC3=CC=CC=C3[N+](=O)[O-])OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COP(=O)(O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2OP(=O)(O)OCC3=CC=CC=C3[N+](=O)[O-])OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H28N2O28P6/c23-21(24)13-7-3-1-5-11(13)9-43-55(39,40)49-19-17(47-53(33,34)35)15(45-51(27,28)29)16(46-52(30,31)32)18(48-54(36,37)38)20(19)50-56(41,42)44-10-12-6-2-4-8-14(12)22(25)26/h1-8,15-20H,9-10H2,(H,39,40)(H,41,42)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t15-,16-,17+,18+,19-,20+/m0/s1