2,2-bis[(2-nitrophenyl)-phenyl-methyl]hexanedioate

Systemtic Name: 2,2-bis[(2-nitrophenyl)-phenyl-methyl]hexanedioate Openeye Name: 2,2-bis[(2-nitrophenyl)-phenyl-methyl]hexanedioate CAS Name: 2,2-bis[(2-nitrophenyl)-phenylmethyl]hexanedioate IUPAC Name: 2,2-bis[(2-nitrophenyl)-phenylmethyl]hexanedioate Traditional Name: 2,2-bis[(2-nitrophenyl)-phenyl-methyl]adipate Formula: C32H26N2O8-2 MolecularWeight: 566.55744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2[N+](=O)[O-])C(CCCC(=O)[O-])(C(C3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2[N+](=O)[O-])C(CCCC(=O)[O-])(C(C3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C32H28N2O8/c35-28(36)20-11-21-32(31(37)38,29(22-12-3-1-4-13-22)24-16-7-9-18-26(24)33(39)40)30(23-14-5-2-6-15-23)25-17-8-10-19-27(25)34(41)42/h1-10,12-19,29-30H,11,20-21H2,(H,35,36)(H,37,38)/p-2