tetramethyl 3,6-bis[4-(4-ethynylphenyl)phenyl]benzene-1,2,4,5-tetracarboxylate

Systemtic Name: tetramethyl 3,6-bis[4-(4-ethynylphenyl)phenyl]benzene-1,2,4,5-tetracarboxylate Openeye Name: tetramethyl 3,6-bis[4-(4-ethynylphenyl)phenyl]benzene-1,2,4,5-tetracarboxylate CAS Name: 3,6-bis[4-(4-ethynylphenyl)phenyl]benzene-1,2,4,5-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl 3,6-bis[4-(4-ethynylphenyl)phenyl]benzene-1,2,4,5-tetracarboxylate Traditional Name: 3,6-bis[4-(4-ethynylphenyl)phenyl]benzene-1,2,4,5-tetracarboxylic acid tetramethyl ester Formula: C42H30O8 MolecularWeight: 662.6828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C(=C1C(=O)OC)C2=CC=C(C=C2)C3=CC=C(C=C3)C#C)C(=O)OC)C(=O)OC)C4=CC=C(C=C4)C5=CC=C(C=C5)C#C

Isomeric SMILES

COC(=O)C1=C(C(=C(C(=C1C(=O)OC)C2=CC=C(C=C2)C3=CC=C(C=C3)C#C)C(=O)OC)C(=O)OC)C4=CC=C(C=C4)C5=CC=C(C=C5)C#C

InChI

InChI=1S/C42H30O8/c1-7-25-9-13-27(14-10-25)29-17-21-31(22-18-29)33-35(39(43)47-3)37(41(45)49-5)34(38(42(46)50-6)36(33)40(44)48-4)32-23-19-30(20-24-32)28-15-11-26(8-2)12-16-28/h1-2,9-24H,3-6H3