cyclohexylazanium; 5-nitro-4-phenyl-hexanoate

Systemtic Name: cyclohexylazanium; 5-nitro-4-phenyl-hexanoate Openeye Name: cyclohexylammonium; 5-nitro-4-phenyl-hexanoate CAS Name: cyclohexylammonium; 5-nitro-4-phenylhexanoate IUPAC Name: cyclohexylazanium; 5-nitro-4-phenylhexanoate Traditional Name: cyclohexylammonium; 5-nitro-4-phenyl-hexanoate Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC(=O)[O-])C1=CC=CC=C1)[N+](=O)[O-].C1CCC(CC1)[NH3+]

Isomeric SMILES

CC(C(CCC(=O)[O-])C1=CC=CC=C1)[N+](=O)[O-].C1CCC(CC1)[NH3+]

InChI

InChI=1S/C12H15NO4.C6H13N/c1-9(13(16)17)11(7-8-12(14)15)10-5-3-2-4-6-10;7-6-4-2-1-3-5-6/h2-6,9,11H,7-8H2,1H3,(H,14,15);6H,1-5,7H2