2-iodyl-3-octadecanoyl-terephthalic acid

Systemtic Name: 2-iodyl-3-octadecanoyl-terephthalic acid Openeye Name: 2-iodyl-3-octadecanoyl-terephthalic acid CAS Name: 2-iodyl-3-(1-oxooctadecyl)terephthalic acid IUPAC Name: 2-iodyl-3-octadecanoylterephthalic acid Traditional Name: 2-iodyl-3-stearoyl-terephthalic acid Formula: C26H39IO7 MolecularWeight: 590.48813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1I(=O)=O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1I(=O)=O)C(=O)O)C(=O)O

InChI

InChI=1S/C26H39IO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)23-20(25(29)30)18-19-21(26(31)32)24(23)27(33)34/h18-19H,2-17H2,1H3,(H,29,30)(H,31,32)