[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-nitrooxy-propan-2-yl] nitrate

Systemtic Name: [1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-nitrooxy-propan-2-yl] nitrate Openeye Name: [1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-2-nitrooxy-ethyl] nitrate CAS Name: nitric acid [1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-nitrooxypropan-2-yl] ester IUPAC Name: [1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-nitrooxypropan-2-yl] nitrate Traditional Name: nitric acid [1-(3,5-ditert-butyl-4-hydroxy-benzyl)-2-nitrooxy-ethyl] ester Formula: C17H26N2O7 MolecularWeight: 370.39754

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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-])O[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O7/c1-16(2,3)13-8-11(9-14(15(13)20)17(4,5)6)7-12(26-19(23)24)10-25-18(21)22/h8-9,12,20H,7,10H2,1-6H3