4-(4-carboxylatophenyl)-2,6-dioctyl-3-phenyl-benzoate

Systemtic Name: 4-(4-carboxylatophenyl)-2,6-dioctyl-3-phenyl-benzoate Openeye Name: 4-(4-carboxylatophenyl)-2,6-dioctyl-3-phenyl-benzoate CAS Name: 4-(4-carboxylatophenyl)-2,6-dioctyl-3-phenylbenzoate IUPAC Name: 4-(4-carboxylatophenyl)-2,6-dioctyl-3-phenylbenzoate Traditional Name: 4-(4-carboxylatophenyl)-2,6-dioctyl-3-phenyl-benzoate Formula: C36H44O4-2 MolecularWeight: 540.73216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1)C2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3)CCCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1)C2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3)CCCCCCCC)C(=O)[O-]

InChI

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