3,4-bis(1-iodanyldecyl)phthalic acid

Systemtic Name: 3,4-bis(1-iodanyldecyl)phthalic acid Openeye Name: 3,4-bis(1-iododecyl)phthalic acid CAS Name: 3,4-bis(1-iododecyl)phthalic acid IUPAC Name: 3,4-bis(1-iododecyl)phthalic acid Traditional Name: 3,4-bis(1-iododecyl)phthalic acid Formula: C28H44I2O4 MolecularWeight: 698.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCCCCCCCC)I)I

Isomeric SMILES

CCCCCCCCCC(C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCCCCCCCC)I)I

InChI

InChI=1S/C28H44I2O4/c1-3-5-7-9-11-13-15-17-23(29)21-19-20-22(27(31)32)26(28(33)34)25(21)24(30)18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18H2,1-2H3,(H,31,32)(H,33,34)