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2-(12-carboxy-13-oxidanyl-13-oxidanylidene-tridecyl)terephthalic acid

2-(12-carboxy-13-oxidanyl-13-oxidanylidene-tridecyl)terephthalic acid

Systemtic Name:2-(12-carboxy-13-oxidanyl-13-oxidanylidene-tridecyl)terephthalic acid
Openeye Name:2-(12-carboxy-13-hydroxy-13-oxo-tridecyl)terephthalic acid
CAS Name:2-(12-carboxy-13-hydroxy-13-oxotridecyl)terephthalic acid
IUPAC Name:2-(12-carboxy-13-hydroxy-13-oxotridecyl)terephthalic acid
Traditional Name:2-(12-carboxy-13-hydroxy-13-keto-tridecyl)terephthalic acid
Formula: C22H30O8
MolecularWeight: 422.4688
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)CCCCCCCCCCCC(C(=O)O)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)CCCCCCCCCCCC(C(=O)O)C(=O)O)C(=O)O


InChI

InChI=1S/C22H30O8/c23-19(24)16-12-13-17(20(25)26)15(14-16)10-8-6-4-2-1-3-5-7-9-11-18(21(27)28)22(29)30/h12-14,18H,1-11H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)


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