(Z)-4-nitro-2-(2-nitro-6-octyl-phenyl)but-2-enoic acid

Systemtic Name: (Z)-4-nitro-2-(2-nitro-6-octyl-phenyl)but-2-enoic acid Openeye Name: (Z)-4-nitro-2-(2-nitro-6-octyl-phenyl)but-2-enoic acid CAS Name: (Z)-4-nitro-2-(2-nitro-6-octylphenyl)-2-butenoic acid IUPAC Name: (Z)-4-nitro-2-(2-nitro-6-octylphenyl)but-2-enoic acid Traditional Name: (Z)-4-nitro-2-(2-nitro-6-octyl-phenyl)but-2-enoic acid Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC=C1)[N+](=O)[O-])C(=CC[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C(=CC=C1)[N+](=O)[O-])/C(=C/C[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C18H24N2O6/c1-2-3-4-5-6-7-9-14-10-8-11-16(20(25)26)17(14)15(18(21)22)12-13-19(23)24/h8,10-12H,2-7,9,13H2,1H3,(H,21,22)/b15-12-