2,5-dimethylhexane; [2,5-dimethyl-6-(phenylcarbonyloxy)hexyl] benzoate

Systemtic Name: 2,5-dimethylhexane; [2,5-dimethyl-6-(phenylcarbonyloxy)hexyl] benzoate Openeye Name: (6-benzoyloxy-2,5-dimethyl-hexyl) benzoate; 2,5-dimethylhexane CAS Name: benzoic acid (6-benzoyloxy-2,5-dimethylhexyl) ester; 2,5-dimethylhexane IUPAC Name: (6-benzoyloxy-2,5-dimethylhexyl) benzoate; 2,5-dimethylhexane Traditional Name: benzoic acid (6-benzoyloxy-2,5-dimethyl-hexyl) ester; 2,5-dimethylhexane Formula: C30H44O4 MolecularWeight: 468.66796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)C.CC(CCC(C)COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCC(C)C.CC(CCC(C)COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26O4.C8H18/c1-17(15-25-21(23)19-9-5-3-6-10-19)13-14-18(2)16-26-22(24)20-11-7-4-8-12-20;1-7(2)5-6-8(3)4/h3-12,17-18H,13-16H2,1-2H3;7-8H,5-6H2,1-4H3