(Z)-2,4-dinitro-3-(2-octylphenyl)but-2-enoic acid

Systemtic Name: (Z)-2,4-dinitro-3-(2-octylphenyl)but-2-enoic acid Openeye Name: (Z)-2,4-dinitro-3-(2-octylphenyl)but-2-enoic acid CAS Name: (Z)-2,4-dinitro-3-(2-octylphenyl)-2-butenoic acid IUPAC Name: (Z)-2,4-dinitro-3-(2-octylphenyl)but-2-enoic acid Traditional Name: (Z)-2,4-dinitro-3-(2-octylphenyl)but-2-enoic acid Formula: C18H24N2O6 MolecularWeight: 364.39296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6/c1-2-3-4-5-6-7-10-14-11-8-9-12-15(14)16(13-19(23)24)17(18(21)22)20(25)26/h8-9,11-12H,2-7,10,13H2,1H3,(H,21,22)/b17-16+