3,4,5-tri(nonyl)phthalate

Systemtic Name: 3,4,5-tri(nonyl)phthalate Openeye Name: 3,4,5-tri(nonyl)phthalate CAS Name: 3,4,5-tri(nonyl)phthalate IUPAC Name: 3,4,5-tri(nonyl)phthalate Traditional Name: 3,4,5-tri(nonyl)phthalate Formula: C35H58O4-2 MolecularWeight: 542.83262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCCCCCCC)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCCCCCCC)CCCCCCCCC

InChI

InChI=1S/C35H60O4/c1-4-7-10-13-16-19-22-25-29-28-32(34(36)37)33(35(38)39)31(27-24-21-18-15-12-9-6-3)30(29)26-23-20-17-14-11-8-5-2/h28H,4-27H2,1-3H3,(H,36,37)(H,38,39)/p-2