O1,O3-bis(4-nitrophenyl) O2-(phenylmethyl) 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: O1,O3-bis(4-nitrophenyl) O2-(phenylmethyl) 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: O2-benzyl O1,O3-bis(4-nitrophenyl) 2-hydroxypropane-1,2,3-tricarboxylate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid O1,O3-bis(4-nitrophenyl) ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O,3-O-bis(4-nitrophenyl) 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-hydroxypropane-1,2,3-tricarboxylic acid O2-benzyl ester O1,O3-bis(4-nitrophenyl) ester Formula: C25H20N2O11 MolecularWeight: 524.4331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])(CC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])(CC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C25H20N2O11/c28-22(37-20-10-6-18(7-11-20)26(32)33)14-25(31,24(30)36-16-17-4-2-1-3-5-17)15-23(29)38-21-12-8-19(9-13-21)27(34)35/h1-13,31H,14-16H2