[3-(3,5-dinitrophenyl)carbonyloxy-4-methyl-5-phenethyl-oxolan-2-yl]methyl 3,5-dinitrobenzoate

Systemtic Name: [3-(3,5-dinitrophenyl)carbonyloxy-4-methyl-5-phenethyl-oxolan-2-yl]methyl 3,5-dinitrobenzoate Openeye Name: [3-(3,5-dinitrobenzoyl)oxy-4-methyl-5-phenethyl-tetrahydrofuran-2-yl]methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(3,5-dinitrophenyl)-oxomethoxy]-4-methyl-5-phenethyl-2-oxolanyl]methyl ester IUPAC Name: [3-(3,5-dinitrobenzoyl)oxy-4-methyl-5-phenethyloxolan-2-yl]methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(3,5-dinitrobenzoyl)oxy-4-methyl-5-phenethyl-tetrahydrofuran-2-yl]methyl ester Formula: C28H24N4O13 MolecularWeight: 624.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

CC1C(OC(C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C28H24N4O13/c1-16-24(8-7-17-5-3-2-4-6-17)44-25(15-43-27(33)18-9-20(29(35)36)13-21(10-18)30(37)38)26(16)45-28(34)19-11-22(31(39)40)14-23(12-19)32(41)42/h2-6,9-14,16,24-26H,7-8,15H2,1H3