O1-dodecyl O2-iodanyl benzene-1,2-dicarboxylate; phthalate

Systemtic Name: O1-dodecyl O2-iodanyl benzene-1,2-dicarboxylate; phthalate Openeye Name: O1-dodecyl O2-iodo benzene-1,2-dicarboxylate; phthalate CAS Name: benzene-1,2-dicarboxylic acid O1-dodecyl ester O2-iodo ester; phthalate IUPAC Name: 1-O-dodecyl 2-O-iodo benzene-1,2-dicarboxylate; phthalate Traditional Name: benzene-1,2-dicarboxylic acid O2-iodo ester O1-lauryl ester; phthalate Formula: C28H33IO8-2 MolecularWeight: 624.46129

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OI.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OI.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H29IO4.C8H6O4/c1-2-3-4-5-6-7-8-9-10-13-16-24-19(22)17-14-11-12-15-18(17)20(23)25-21;9-7(10)5-3-1-2-4-6(5)8(11)12/h11-12,14-15H,2-10,13,16H2,1H3;1-4H,(H,9,10)(H,11,12)/p-2