3,4-didecylphthalate

Systemtic Name: 3,4-didecylphthalate Openeye Name: 3,4-didecylphthalate CAS Name: 3,4-didecylphthalate IUPAC Name: 3,4-didecylphthalate Traditional Name: 3,4-didecylphthalate Formula: C28H44O4-2 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCCCCC

InChI

InChI=1S/C28H46O4/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/h21-22H,3-20H2,1-2H3,(H,29,30)(H,31,32)/p-2