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2-octadecylterephthalic acid

2-octadecylterephthalic acid

Systemtic Name:2-octadecylterephthalic acid
Openeye Name:2-octadecylterephthalic acid
CAS Name:2-octadecylterephthalic acid
IUPAC Name:2-octadecylterephthalic acid
Traditional Name:2-stearylterephthalic acid
Formula: C26H42O4
MolecularWeight: 418.60928
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)C(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)C(=O)O)C(=O)O


InChI

InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21-23(25(27)28)19-20-24(22)26(29)30/h19-21H,2-18H2,1H3,(H,27,28)(H,29,30)


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