4-(4,4-dinitrocyclohexa-2,5-dien-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(4,4-dinitrocyclohexa-2,5-dien-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 4-(4,4-dinitrocyclohexa-2,5-dien-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 4-(4,4-dinitro-1-cyclohexa-2,5-dienyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(4,4-dinitrocyclohexa-2,5-dien-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(4,4-dinitrocyclohexa-2,5-dien-1-yl)isophthalic acid Formula: C14H10N2O8 MolecularWeight: 334.2378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC1C2=C(C=C(C=C2)C(=O)O)C(=O)O)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(C=CC1C2=C(C=C(C=C2)C(=O)O)C(=O)O)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O8/c17-12(18)9-1-2-10(11(7-9)13(19)20)8-3-5-14(6-4-8,15(21)22)16(23)24/h1-8H,(H,17,18)(H,19,20)