bis[(4-nitrophenyl)carbonyl] 2-[2,2-bis(oxidanyl)ethyl]hexanedioate

Systemtic Name: bis[(4-nitrophenyl)carbonyl] 2-[2,2-bis(oxidanyl)ethyl]hexanedioate Openeye Name: bis(4-nitrobenzoyl) 2-(2,2-dihydroxyethyl)hexanedioate CAS Name: 2-(2,2-dihydroxyethyl)hexanedioic acid bis[(4-nitrophenyl)-oxomethyl] ester IUPAC Name: bis(4-nitrobenzoyl) 2-(2,2-dihydroxyethyl)hexanedioate Traditional Name: 2-(2,2-dihydroxyethyl)adipic acid bis(4-nitrobenzoyl) ester Formula: C22H20N2O12 MolecularWeight: 504.4004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC(=O)CCCC(CC(O)O)C(=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC(=O)CCCC(CC(O)O)C(=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O12/c25-18(26)12-15(22(30)36-21(29)14-6-10-17(11-7-14)24(33)34)2-1-3-19(27)35-20(28)13-4-8-16(9-5-13)23(31)32/h4-11,15,18,25-26H,1-3,12H2