bis(4-hexylphenyl) 2,5-dibutoxybenzene-1,4-dicarboxylate

Systemtic Name: bis(4-hexylphenyl) 2,5-dibutoxybenzene-1,4-dicarboxylate Openeye Name: bis(4-hexylphenyl) 2,5-dibutoxybenzene-1,4-dicarboxylate CAS Name: 2,5-dibutoxybenzene-1,4-dicarboxylic acid bis(4-hexylphenyl) ester IUPAC Name: bis(4-hexylphenyl) 2,5-dibutoxybenzene-1,4-dicarboxylate Traditional Name: 2,5-dibutoxybenzene-1,4-dicarboxylic acid bis(4-hexylphenyl) ester Formula: C40H54O6 MolecularWeight: 630.85316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2OCCCC)C(=O)OC3=CC=C(C=C3)CCCCCC)OCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2OCCCC)C(=O)OC3=CC=C(C=C3)CCCCCC)OCCCC

InChI

InChI=1S/C40H54O6/c1-5-9-13-15-17-31-19-23-33(24-20-31)45-39(41)35-29-38(44-28-12-8-4)36(30-37(35)43-27-11-7-3)40(42)46-34-25-21-32(22-26-34)18-16-14-10-6-2/h19-26,29-30H,5-18,27-28H2,1-4H3