[1-[[2-(2,4-dinitrophenyl)carbonyloxynaphthalen-1-yl]methyl]naphthalen-2-yl] 2,4-dinitrobenzoate

Systemtic Name: [1-[[2-(2,4-dinitrophenyl)carbonyloxynaphthalen-1-yl]methyl]naphthalen-2-yl] 2,4-dinitrobenzoate Openeye Name: [1-[[2-(2,4-dinitrobenzoyl)oxy-1-naphthyl]methyl]-2-naphthyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [1-[[2-[(2,4-dinitrophenyl)-oxomethoxy]-1-naphthalenyl]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[[2-(2,4-dinitrobenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [1-[[2-(2,4-dinitrobenzoyl)oxy-1-naphthyl]methyl]-2-naphthyl] ester Formula: C35H20N4O12 MolecularWeight: 688.5529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)OC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)OC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C35H20N4O12/c40-34(26-13-11-22(36(42)43)17-30(26)38(46)47)50-32-15-9-20-5-1-3-7-24(20)28(32)19-29-25-8-4-2-6-21(25)10-16-33(29)51-35(41)27-14-12-23(37(44)45)18-31(27)39(48)49/h1-18H,19H2