diethyl (2E,4E)-2,5-bis(2-phenylethynyl)hexa-2,4-dienedioate

Systemtic Name: diethyl (2E,4E)-2,5-bis(2-phenylethynyl)hexa-2,4-dienedioate Openeye Name: diethyl (2E,4E)-2,5-bis(2-phenylethynyl)hexa-2,4-dienedioate CAS Name: (2E,4E)-2,5-bis(2-phenylethynyl)hexa-2,4-dienedioic acid diethyl ester IUPAC Name: diethyl (2E,4E)-2,5-bis(2-phenylethynyl)hexa-2,4-dienedioate Traditional Name: (2E,4E)-2,5-bis(2-phenylethynyl)muconic acid diethyl ester Formula: C26H22O4 MolecularWeight: 398.45048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C#CC1=CC=CC=C1)C(=O)OCC)C#CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C/C=C(/C(=O)OCC)\C#CC1=CC=CC=C1)/C#CC2=CC=CC=C2

InChI

InChI=1S/C26H22O4/c1-3-29-25(27)23(17-15-21-11-7-5-8-12-21)19-20-24(26(28)30-4-2)18-16-22-13-9-6-10-14-22/h5-14,19-20H,3-4H2,1-2H3/b23-19+,24-20+