[2-(2-heptoxypropanoyloxy)phenyl] 5-heptyl-2-phenyl-benzoate

Systemtic Name: [2-(2-heptoxypropanoyloxy)phenyl] 5-heptyl-2-phenyl-benzoate Openeye Name: [2-(2-heptoxypropanoyloxy)phenyl] 5-heptyl-2-phenyl-benzoate CAS Name: 5-heptyl-2-phenylbenzoic acid [2-(2-heptoxy-1-oxopropoxy)phenyl] ester IUPAC Name: [2-(2-heptoxypropanoyloxy)phenyl] 5-heptyl-2-phenylbenzoate Traditional Name: 5-heptyl-2-phenyl-benzoic acid [2-(2-heptoxypropanoyloxy)phenyl] ester Formula: C36H46O5 MolecularWeight: 558.74744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3OC(=O)C(C)OCCCCCCC

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3OC(=O)C(C)OCCCCCCC

InChI

InChI=1S/C36H46O5/c1-4-6-8-10-13-19-29-24-25-31(30-20-14-12-15-21-30)32(27-29)36(38)41-34-23-17-16-22-33(34)40-35(37)28(3)39-26-18-11-9-7-5-2/h12,14-17,20-25,27-28H,4-11,13,18-19,26H2,1-3H3