dimethyl 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2H-heptalene-1,2-dicarboxylate

Systemtic Name: dimethyl 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2H-heptalene-1,2-dicarboxylate Openeye Name: dimethyl 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2H-heptalene-1,2-dicarboxylate CAS Name: 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2H-heptalene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2H-heptalene-1,2-dicarboxylate Traditional Name: 1-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2H-heptalene-1,2-dicarboxylic acid dimethyl ester Formula: C26H24O4 MolecularWeight: 400.46636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=CC=C2C=CC=CC=C2C1(C=CC=CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1C=CC=C2C=CC=CC=C2C1(/C=C/C=C/C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H24O4/c1-29-24(27)23-18-11-16-21-15-7-4-8-17-22(21)26(23,25(28)30-2)19-10-9-14-20-12-5-3-6-13-20/h3-19,23H,1-2H3/b14-9+,19-10+