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2-icosylterephthalic acid

2-icosylterephthalic acid

Systemtic Name:2-icosylterephthalic acid
Openeye Name:2-icosylterephthalic acid
CAS Name:2-eicosylterephthalic acid
IUPAC Name:2-icosylterephthalic acid
Traditional Name:2-arachylterephthalic acid
Formula: C28H46O4
MolecularWeight: 446.66244
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)C(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)C(=O)O)C(=O)O


InChI

InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23-25(27(29)30)21-22-26(24)28(31)32/h21-23H,2-20H2,1H3,(H,29,30)(H,31,32)


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