2,5-bis(dec-1-ynyl)terephthalic acid

Systemtic Name: 2,5-bis(dec-1-ynyl)terephthalic acid Openeye Name: 2,5-bis(dec-1-ynyl)terephthalic acid CAS Name: 2,5-bis(dec-1-ynyl)terephthalic acid IUPAC Name: 2,5-bis(dec-1-ynyl)terephthalic acid Traditional Name: 2,5-bis(dec-1-ynyl)terephthalic acid Formula: C28H38O4 MolecularWeight: 438.59892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC(=C(C=C1C(=O)O)C#CCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCC#CC1=CC(=C(C=C1C(=O)O)C#CCCCCCCCC)C(=O)O

InChI

InChI=1S/C28H38O4/c1-3-5-7-9-11-13-15-17-19-23-21-26(28(31)32)24(22-25(23)27(29)30)20-18-16-14-12-10-8-6-4-2/h21-22H,3-16H2,1-2H3,(H,29,30)(H,31,32)