4-(4-nitrophenyl)carbonyloxy-4-(2-octylphenyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-(4-nitrophenyl)carbonyloxy-4-(2-octylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-(4-nitrobenzoyl)oxy-4-(2-octylphenyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-[(4-nitrophenyl)-oxomethoxy]-4-(2-octylphenyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-(4-nitrobenzoyl)oxy-4-(2-octylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-(4-nitrobenzoyl)oxy-4-(2-octylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C2(C=CC(C=C2)C(=O)O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C2(C=CC(C=C2)C(=O)O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H31NO6/c1-2-3-4-5-6-7-10-21-11-8-9-12-25(21)28(19-17-22(18-20-28)26(30)31)35-27(32)23-13-15-24(16-14-23)29(33)34/h8-9,11-20,22H,2-7,10H2,1H3,(H,30,31)