1-(4-nitrophenyl)-6-oxidanyl-3,4,5,7-tetrakis(phenylmethoxy)heptane-1,2-dione

Systemtic Name: 1-(4-nitrophenyl)-6-oxidanyl-3,4,5,7-tetrakis(phenylmethoxy)heptane-1,2-dione Openeye Name: 3,4,5,7-tetrabenzyloxy-6-hydroxy-1-(4-nitrophenyl)heptane-1,2-dione CAS Name: 6-hydroxy-1-(4-nitrophenyl)-3,4,5,7-tetrakis(phenylmethoxy)heptane-1,2-dione IUPAC Name: 6-hydroxy-1-(4-nitrophenyl)-3,4,5,7-tetrakis(phenylmethoxy)heptane-1,2-dione Traditional Name: 3,4,5,7-tetrabenzoxy-6-hydroxy-1-(4-nitrophenyl)heptane-1,2-dione Formula: C41H39NO9 MolecularWeight: 689.74966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(C(C(C(=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

C1=CC=C(C=C1)COCC(C(C(C(C(=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C41H39NO9/c43-36(29-48-25-30-13-5-1-6-14-30)39(49-26-31-15-7-2-8-16-31)41(51-28-33-19-11-4-12-20-33)40(50-27-32-17-9-3-10-18-32)38(45)37(44)34-21-23-35(24-22-34)42(46)47/h1-24,36,39-41,43H,25-29H2