O1-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] O4-(2,4-dinitrophenyl) butanedioate

Systemtic Name: O1-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] O4-(2,4-dinitrophenyl) butanedioate Openeye Name: O1-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] O4-(2,4-dinitrophenyl) butanedioate CAS Name: butanedioic acid O1-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester O4-(2,4-dinitrophenyl) ester IUPAC Name: 1-O-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-O-(2,4-dinitrophenyl) butanedioate Traditional Name: succinic acid O1-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl] ester O4-(2,4-dinitrophenyl) ester Formula: C41H38N4O14 MolecularWeight: 810.75882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OC(=O)CCC(=O)OC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OC(=O)CCC(=O)OC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C41H38N4O14/c1-25-23-43(40(49)42-39(25)48)36-22-34(59-38(47)20-19-37(46)58-33-18-13-29(44(50)51)21-32(33)45(52)53)35(57-36)24-56-41(26-7-5-4-6-8-26,27-9-14-30(54-2)15-10-27)28-11-16-31(55-3)17-12-28/h4-18,21,23,34-36H,19-20,22,24H2,1-3H3,(H,42,48,49)/t34-,35+,36+/m0/s1