[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-nitro-propyl] nitrate

Systemtic Name: [3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-nitro-propyl] nitrate Openeye Name: [3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-nitro-propyl] nitrate CAS Name: nitric acid [3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-nitropropyl] ester IUPAC Name: [3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-nitropropyl] nitrate Traditional Name: nitric acid [3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-nitro-propyl] ester Formula: C17H26N2O6 MolecularWeight: 354.39814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(CO[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(CO[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H26N2O6/c1-16(2,3)13-8-11(9-14(15(13)20)17(4,5)6)7-12(18(21)22)10-25-19(23)24/h8-9,12,20H,7,10H2,1-6H3