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4-[10-(3,4-dicarboxyphenyl)deca-1,9-diynyl]phthalic acid

4-[10-(3,4-dicarboxyphenyl)deca-1,9-diynyl]phthalic acid

Systemtic Name:4-[10-(3,4-dicarboxyphenyl)deca-1,9-diynyl]phthalic acid
Openeye Name:4-[10-(3,4-dicarboxyphenyl)deca-1,9-diynyl]phthalic acid
CAS Name:4-[10-(3,4-dicarboxyphenyl)deca-1,9-diynyl]phthalic acid
IUPAC Name:4-[10-(3,4-dicarboxyphenyl)deca-1,9-diynyl]phthalic acid
Traditional Name:4-[10-(3,4-dicarboxyphenyl)deca-1,9-diynyl]phthalic acid
Formula: C26H22O8
MolecularWeight: 462.44808
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#CCCCCCCC#CC2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC(=C(C=C1C#CCCCCCCC#CC2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O


InChI

InChI=1S/C26H22O8/c27-23(28)19-13-11-17(15-21(19)25(31)32)9-7-5-3-1-2-4-6-8-10-18-12-14-20(24(29)30)22(16-18)26(33)34/h11-16H,1-6H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)


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