[4-[4-(2,4-dinitrophenyl)carbonyloxyphenyl]sulfonylphenyl] 2,4-dinitrobenzoate

Systemtic Name: [4-[4-(2,4-dinitrophenyl)carbonyloxyphenyl]sulfonylphenyl] 2,4-dinitrobenzoate Openeye Name: [4-[4-(2,4-dinitrobenzoyl)oxyphenyl]sulfonylphenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-[4-[(2,4-dinitrophenyl)-oxomethoxy]phenyl]sulfonylphenyl] ester IUPAC Name: [4-[4-(2,4-dinitrobenzoyl)oxyphenyl]sulfonylphenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [4-[4-(2,4-dinitrobenzoyl)oxyphenyl]sulfonylphenyl] ester Formula: C26H14N4O14S MolecularWeight: 638.47276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H14N4O14S/c31-25(21-11-1-15(27(33)34)13-23(21)29(37)38)43-17-3-7-19(8-4-17)45(41,42)20-9-5-18(6-10-20)44-26(32)22-12-2-16(28(35)36)14-24(22)30(39)40/h1-14H