3-decyl-4-undecyl-phthalate

Systemtic Name: 3-decyl-4-undecyl-phthalate Openeye Name: 3-decyl-4-undecyl-phthalate CAS Name: 3-decyl-4-undecylphthalate IUPAC Name: 3-decyl-4-undecylphthalate Traditional Name: 3-decyl-4-undecyl-phthalate Formula: C29H46O4-2 MolecularWeight: 458.67314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48O4/c1-3-5-7-9-11-13-14-16-18-20-24-22-23-26(28(30)31)27(29(32)33)25(24)21-19-17-15-12-10-8-6-4-2/h22-23H,3-21H2,1-2H3,(H,30,31)(H,32,33)/p-2