4-decyl-5-dodecyl-3-octyl-phthalate

Systemtic Name: 4-decyl-5-dodecyl-3-octyl-phthalate Openeye Name: 4-decyl-5-dodecyl-3-octyl-phthalate CAS Name: 4-decyl-5-dodecyl-3-octylphthalate IUPAC Name: 4-decyl-5-dodecyl-3-octylphthalate Traditional Name: 4-decyl-5-lauryl-3-octyl-phthalate Formula: C38H64O4-2 MolecularWeight: 584.91236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C38H66O4/c1-4-7-10-13-16-18-19-20-22-25-28-32-31-35(37(39)40)36(38(41)42)34(30-27-23-15-12-9-6-3)33(32)29-26-24-21-17-14-11-8-5-2/h31H,4-30H2,1-3H3,(H,39,40)(H,41,42)/p-2