Primary record
AC1LONIZ
- CAS
- 331459-92-8
- PubChem CID
- 1224021
- SMILES
- CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2[N+](=O)[O-])OCO3
- Molecular Formula
- C19H19NO6
- Molecular Weight
- 357.362
- Exact Mass
- 357.1212
- InChI
- InChI=1S/C19H19NO6/c1-19(2,3)14-6-4-12(5-7-14)18(21)24-10-13-8-16-17(26-11-25-16)9-15(13)20(22)23/h4-9H,10-11H2,1-3H3
- InChIKey
- MCDADKHVQMIFBN-UHFFFAOYSA-N
- LogP
- 3.978
- TPSA
- 87.9
Names and synonyms
- AC1LONIZ
- Oprea1_168306
- MCDADKHVQMIFBN-UHFFFAOYSA-N
- ZINC1000115
- ZINC01000115
- AKOS005106829
- CID1224021
- JS-0133
- KS-00003L71
- 331459-92-8
- (6-nitro-1,3-benzodioxol-5-yl)methyl 4-tert-butylbenzoate
- (6-nitro-2H-1,3-benzodioxol-5-yl)methyl 4-tert-butylbenzoate
- AA-768/31128035
- AA-768/32245007
- {6-nitro-1,3-benzodioxol-5-yl}methyl 4-tert-butylbenzoate
- A1016118
- (6-nitro-2H-1,3-benzodioxol-5-yl)methyl4-tert-butylbenzoate
- (6-nitro-1,3-benzodioxol-5-yl)methyl 4-(tert-butyl)benzenecarboxylate