5-[1-[6-(phenylcarbonyloxy)hexan-2-yloxy]pentadec-2-ynoxy]hexyl benzoate

Systemtic Name: 5-[1-[6-(phenylcarbonyloxy)hexan-2-yloxy]pentadec-2-ynoxy]hexyl benzoate Openeye Name: 5-[1-(5-benzoyloxy-1-methyl-pentoxy)pentadec-2-ynoxy]hexyl benzoate CAS Name: benzoic acid 5-[1-(6-benzoyloxyhexan-2-yloxy)pentadec-2-ynoxy]hexyl ester IUPAC Name: 5-[1-(6-benzoyloxyhexan-2-yloxy)pentadec-2-ynoxy]hexyl benzoate Traditional Name: benzoic acid 5-[1-(5-benzoyloxy-1-methyl-pentoxy)pentadec-2-ynoxy]hexyl ester Formula: C41H60O6 MolecularWeight: 648.9115

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(OC(C)CCCCOC(=O)C1=CC=CC=C1)OC(C)CCCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC#CC(OC(C)CCCCOC(=O)C1=CC=CC=C1)OC(C)CCCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C41H60O6/c1-4-5-6-7-8-9-10-11-12-13-14-21-32-39(46-35(2)26-22-24-33-44-40(42)37-28-17-15-18-29-37)47-36(3)27-23-25-34-45-41(43)38-30-19-16-20-31-38/h15-20,28-31,35-36,39H,4-14,22-27,33-34H2,1-3H3