dioctyl 3,4-diphenylbenzene-1,2-dicarboxylate

Systemtic Name: dioctyl 3,4-diphenylbenzene-1,2-dicarboxylate Openeye Name: dioctyl 3,4-diphenylbenzene-1,2-dicarboxylate CAS Name: 3,4-diphenylbenzene-1,2-dicarboxylic acid dioctyl ester IUPAC Name: dioctyl 3,4-diphenylbenzene-1,2-dicarboxylate Traditional Name: 3,4-diphenylbenzene-1,2-dicarboxylic acid dioctyl ester Formula: C36H46O4 MolecularWeight: 542.74804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCCCCCCCC

InChI

InChI=1S/C36H46O4/c1-3-5-7-9-11-19-27-39-35(37)32-26-25-31(29-21-15-13-16-22-29)33(30-23-17-14-18-24-30)34(32)36(38)40-28-20-12-10-8-6-4-2/h13-18,21-26H,3-12,19-20,27-28H2,1-2H3