(Z)-2-(2,4-dinitro-6-octan-3-yl-phenyl)but-2-enoic acid

Systemtic Name: (Z)-2-(2,4-dinitro-6-octan-3-yl-phenyl)but-2-enoic acid Openeye Name: (Z)-2-[2-(1-ethylhexyl)-4,6-dinitro-phenyl]but-2-enoic acid CAS Name: (Z)-2-(2,4-dinitro-6-octan-3-ylphenyl)-2-butenoic acid IUPAC Name: (Z)-2-(2,4-dinitro-6-octan-3-ylphenyl)but-2-enoic acid Traditional Name: (Z)-2-[2-(1-ethylhexyl)-4,6-dinitro-phenyl]but-2-enoic acid Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=CC(=CC(=C1C(=CC)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6/c1-4-7-8-9-12(5-2)15-10-13(19(23)24)11-16(20(25)26)17(15)14(6-3)18(21)22/h6,10-12H,4-5,7-9H2,1-3H3,(H,21,22)/b14-6-