2,2-bis(acetyloxymethyl)-3-(4-nitrooxycyclohexyl)propanoic acid

Systemtic Name: 2,2-bis(acetyloxymethyl)-3-(4-nitrooxycyclohexyl)propanoic acid Openeye Name: 2,2-bis(acetoxymethyl)-3-(4-nitrooxycyclohexyl)propanoic acid CAS Name: 2,2-bis(acetyloxymethyl)-3-(4-nitrooxycyclohexyl)propanoic acid IUPAC Name: 2,2-bis(acetyloxymethyl)-3-(4-nitrooxycyclohexyl)propanoic acid Traditional Name: 2,2-bis(acetoxymethyl)-3-(4-nitrooxycyclohexyl)propionic acid Formula: C15H23NO9 MolecularWeight: 361.34442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC1CCC(CC1)O[N+](=O)[O-])(COC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)OCC(CC1CCC(CC1)O[N+](=O)[O-])(COC(=O)C)C(=O)O

InChI

InChI=1S/C15H23NO9/c1-10(17)23-8-15(14(19)20,9-24-11(2)18)7-12-3-5-13(6-4-12)25-16(21)22/h12-13H,3-9H2,1-2H3,(H,19,20)