3-hexyl-4-octyl-phthalate

Systemtic Name: 3-hexyl-4-octyl-phthalate Openeye Name: 3-hexyl-4-octyl-phthalate CAS Name: 3-hexyl-4-octylphthalate IUPAC Name: 3-hexyl-4-octylphthalate Traditional Name: 3-hexyl-4-octyl-phthalate Formula: C22H32O4-2 MolecularWeight: 360.48708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCC

InChI

InChI=1S/C22H34O4/c1-3-5-7-9-10-11-13-17-15-16-19(21(23)24)20(22(25)26)18(17)14-12-8-6-4-2/h15-16H,3-14H2,1-2H3,(H,23,24)(H,25,26)/p-2