3-hexyl-4-undecyl-phthalate

Systemtic Name: 3-hexyl-4-undecyl-phthalate Openeye Name: 3-hexyl-4-undecyl-phthalate CAS Name: 3-hexyl-4-undecylphthalate IUPAC Name: 3-hexyl-4-undecylphthalate Traditional Name: 3-hexyl-4-undecyl-phthalate Formula: C25H38O4-2 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCC

InChI

InChI=1S/C25H40O4/c1-3-5-7-9-10-11-12-13-14-16-20-18-19-22(24(26)27)23(25(28)29)21(20)17-15-8-6-4-2/h18-19H,3-17H2,1-2H3,(H,26,27)(H,28,29)/p-2