3,5-dihexyl-4-oxidanyl-phthalate

Systemtic Name: 3,5-dihexyl-4-oxidanyl-phthalate Openeye Name: 3,5-dihexyl-4-hydroxy-phthalate CAS Name: 3,5-dihexyl-4-hydroxyphthalate IUPAC Name: 3,5-dihexyl-4-hydroxyphthalate Traditional Name: 3,5-dihexyl-4-hydroxy-phthalate Formula: C20H28O5-2 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCCCC)O

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCCCC)O

InChI

InChI=1S/C20H30O5/c1-3-5-7-9-11-14-13-16(19(22)23)17(20(24)25)15(18(14)21)12-10-8-6-4-2/h13,21H,3-12H2,1-2H3,(H,22,23)(H,24,25)/p-2