[(6R,9S,11R)-11,15-dimethyl-9-oxidanyl-hexadec-14-en-7-yn-6-yl] benzoate

Systemtic Name: [(6R,9S,11R)-11,15-dimethyl-9-oxidanyl-hexadec-14-en-7-yn-6-yl] benzoate Openeye Name: [(1R,4S,6R)-4-hydroxy-6,10-dimethyl-1-pentyl-undec-9-en-2-ynyl] benzoate CAS Name: benzoic acid [(6R,9S,11R)-9-hydroxy-11,15-dimethylhexadec-14-en-7-yn-6-yl] ester IUPAC Name: [(6R,9S,11R)-9-hydroxy-11,15-dimethylhexadec-14-en-7-yn-6-yl] benzoate Traditional Name: benzoic acid [(1R,4S,6R)-1-amyl-4-hydroxy-6,10-dimethyl-undec-9-en-2-ynyl] ester Formula: C25H36O3 MolecularWeight: 384.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC(CC(C)CCC=C(C)C)O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC[C@H](C#C[C@H](C[C@H](C)CCC=C(C)C)O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C25H36O3/c1-5-6-8-16-24(28-25(27)22-14-9-7-10-15-22)18-17-23(26)19-21(4)13-11-12-20(2)3/h7,9-10,12,14-15,21,23-24,26H,5-6,8,11,13,16,19H2,1-4H3/t21-,23-,24-/m1/s1