3,4,5-tributylphthalate

Systemtic Name: 3,4,5-tributylphthalate Openeye Name: 3,4,5-tributylphthalate CAS Name: 3,4,5-tributylphthalate IUPAC Name: 3,4,5-tributylphthalate Traditional Name: 3,4,5-tributylphthalate Formula: C20H28O4-2 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCC)CCCC

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])CCCC)CCCC

InChI

InChI=1S/C20H30O4/c1-4-7-10-14-13-17(19(21)22)18(20(23)24)16(12-9-6-3)15(14)11-8-5-2/h13H,4-12H2,1-3H3,(H,21,22)(H,23,24)/p-2