3,4-bis(4-butylphenyl)phthalate

Systemtic Name: 3,4-bis(4-butylphenyl)phthalate Openeye Name: 3,4-bis(4-butylphenyl)phthalate CAS Name: 3,4-bis(4-butylphenyl)phthalate IUPAC Name: 3,4-bis(4-butylphenyl)phthalate Traditional Name: 3,4-bis(4-butylphenyl)phthalate Formula: C28H28O4-2 MolecularWeight: 428.51952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C28H30O4/c1-3-5-7-19-9-13-21(14-10-19)23-17-18-24(27(29)30)26(28(31)32)25(23)22-15-11-20(12-16-22)8-6-4-2/h9-18H,3-8H2,1-2H3,(H,29,30)(H,31,32)/p-2