O1-ethyl O4-hepta-2,4-diynyl benzene-1,4-dicarboxylate

Systemtic Name: O1-ethyl O4-hepta-2,4-diynyl benzene-1,4-dicarboxylate Openeye Name: O1-ethyl O4-hepta-2,4-diynyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-ethyl ester O4-hepta-2,4-diynyl ester IUPAC Name: 1-O-ethyl 4-O-hepta-2,4-diynyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-ethyl ester O4-hepta-2,4-diynyl ester Formula: C17H16O4 MolecularWeight: 284.30654

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC#CCOC(=O)C1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCC#CC#CCOC(=O)C1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C17H16O4/c1-3-5-6-7-8-13-21-17(19)15-11-9-14(10-12-15)16(18)20-4-2/h9-12H,3-4,13H2,1-2H3