3,4-didecylphthalate; 3-(1-iodanyldecyl)phthalate

Systemtic Name: 3,4-didecylphthalate; 3-(1-iodanyldecyl)phthalate Openeye Name: 3,4-didecylphthalate; 3-(1-iododecyl)phthalate CAS Name: 3,4-didecylphthalate; 3-(1-iododecyl)phthalate IUPAC Name: 3,4-didecylphthalate; 3-(1-iododecyl)phthalate Traditional Name: 3,4-didecylphthalate; 3-(1-iododecyl)phthalate Formula: C46H67IO8-4 MolecularWeight: 874.92385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCCCC.CCCCCCCCCC(C1=CC=CC(=C1C(=O)[O-])C(=O)[O-])I

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCCCC.CCCCCCCCCC(C1=CC=CC(=C1C(=O)[O-])C(=O)[O-])I

InChI

InChI=1S/C28H46O4.C18H25IO4/c1-3-5-7-9-11-13-15-17-19-23-21-22-25(27(29)30)26(28(31)32)24(23)20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-12-15(19)13-10-9-11-14(17(20)21)16(13)18(22)23/h21-22H,3-20H2,1-2H3,(H,29,30)(H,31,32);9-11,15H,2-8,12H2,1H3,(H,20,21)(H,22,23)/p-4