2-iodyl-5-[(E)-octadec-7-enyl]terephthalic acid

Systemtic Name: 2-iodyl-5-[(E)-octadec-7-enyl]terephthalic acid Openeye Name: 2-iodyl-5-[(E)-octadec-7-enyl]terephthalic acid CAS Name: 2-iodyl-5-[(E)-octadec-7-enyl]terephthalic acid IUPAC Name: 2-iodyl-5-[(E)-octadec-7-enyl]terephthalic acid Traditional Name: 2-iodyl-5-[(E)-octadec-7-enyl]terephthalic acid Formula: C26H39IO6 MolecularWeight: 574.48873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CCCCCCCC1=C(C=C(C(=C1)C(=O)O)I(=O)=O)C(=O)O

Isomeric SMILES

CCCCCCCCCC/C=C/CCCCCCC1=C(C=C(C(=C1)C(=O)O)I(=O)=O)C(=O)O

InChI

InChI=1S/C26H39IO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-23(26(30)31)24(27(32)33)20-22(21)25(28)29/h11-12,19-20H,2-10,13-18H2,1H3,(H,28,29)(H,30,31)/b12-11+