[1-methoxy-2-methyl-2-oxidanyl-1-(4-phenylphenyl)propyl] 3,5-dinitrobenzoate

Systemtic Name: [1-methoxy-2-methyl-2-oxidanyl-1-(4-phenylphenyl)propyl] 3,5-dinitrobenzoate Openeye Name: [2-hydroxy-1-methoxy-2-methyl-1-(4-phenylphenyl)propyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-hydroxy-1-methoxy-2-methyl-1-(4-phenylphenyl)propyl] ester IUPAC Name: [2-hydroxy-1-methoxy-2-methyl-1-(4-phenylphenyl)propyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-hydroxy-1-methoxy-2-methyl-1-(4-phenylphenyl)propyl] ester Formula: C24H22N2O8 MolecularWeight: 466.44008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O8/c1-23(2,28)24(33-3,19-11-9-17(10-12-19)16-7-5-4-6-8-16)34-22(27)18-13-20(25(29)30)15-21(14-18)26(31)32/h4-15,28H,1-3H3