[(3aR,4R,6R,6aR)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-1',3',5'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate

Systemtic Name: [(3aR,4R,6R,6aR)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-1',3',5'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate Openeye Name: [(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-1',3',5'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate CAS Name: [(3aR,4R,6R,6aR)-4-(2,4-dioxo-1-pyrimidinyl)-1',3',5'-trinitro-6-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]yl]methyl dihydrogen phosphate IUPAC Name: [(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate Traditional Name: [(3aR,4R,6R,6aR)-4-(2,4-diketopyrimidin-1-yl)-1',3',5'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate Formula: C15H14N5O15P MolecularWeight: 535.269921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C2C3C(C(O2)COP(=O)(O)O)OC4(O3)C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)OC4(O3)C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N5O15P/c21-10-1-2-17(14(22)16-10)13-12-11(7(33-13)5-32-36(29,30)31)34-15(35-12)8(19(25)26)3-6(18(23)24)4-9(15)20(27)28/h1-4,7-8,11-13H,5H2,(H,16,21,22)(H2,29,30,31)/t7-,8?,11-,12-,13-,15?/m1/s1