3-propoxypropyl 3-(4-heptylphenyl)-2-phenyl-benzoate

Systemtic Name: 3-propoxypropyl 3-(4-heptylphenyl)-2-phenyl-benzoate Openeye Name: 3-propoxypropyl 3-(4-heptylphenyl)-2-phenyl-benzoate CAS Name: 3-(4-heptylphenyl)-2-phenylbenzoic acid 3-propoxypropyl ester IUPAC Name: 3-propoxypropyl 3-(4-heptylphenyl)-2-phenylbenzoate Traditional Name: 3-(4-heptylphenyl)-2-phenyl-benzoic acid 3-propoxypropyl ester Formula: C32H40O3 MolecularWeight: 472.6582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)OCCCOCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)OCCCOCCC)C3=CC=CC=C3

InChI

InChI=1S/C32H40O3/c1-3-5-6-7-9-14-26-19-21-27(22-20-26)29-17-12-18-30(31(29)28-15-10-8-11-16-28)32(33)35-25-13-24-34-23-4-2/h8,10-12,15-22H,3-7,9,13-14,23-25H2,1-2H3