4-dodecyl-3-heptyl-phthalate

Systemtic Name: 4-dodecyl-3-heptyl-phthalate Openeye Name: 4-dodecyl-3-heptyl-phthalate CAS Name: 4-dodecyl-3-heptylphthalate IUPAC Name: 4-dodecyl-3-heptylphthalate Traditional Name: 3-heptyl-4-lauryl-phthalate Formula: C27H42O4-2 MolecularWeight: 430.61998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCC

InChI

InChI=1S/C27H44O4/c1-3-5-7-9-10-11-12-13-15-16-18-22-20-21-24(26(28)29)25(27(30)31)23(22)19-17-14-8-6-4-2/h20-21H,3-19H2,1-2H3,(H,28,29)(H,30,31)/p-2