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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC(=C1C(=CC)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6/c1-3-5-6-7-8-9-10-13-11-14(19(23)24)12-16(20(25)26)17(13)15(4-2)18(21)22/h4,11-12H,3,5-10H2,1-2H3,(H,21,22)/b15-4-