(2R,3S)-3-octyl-2-[3-oct-1-ynyl-3-(4-oxidanylidenebut-3-enyl)undec-4-ynyl]cyclopentan-1-one

Systemtic Name: (2R,3S)-3-octyl-2-[3-oct-1-ynyl-3-(4-oxidanylidenebut-3-enyl)undec-4-ynyl]cyclopentan-1-one Openeye Name: (2R,3S)-3-octyl-2-[3-oct-1-ynyl-3-(4-oxobut-3-enyl)undec-4-ynyl]cyclopentanone CAS Name: (2R,3S)-3-octyl-2-[3-oct-1-ynyl-3-(4-oxobut-3-enyl)undec-4-ynyl]-1-cyclopentanone IUPAC Name: (2R,3S)-3-octyl-2-[3-oct-1-ynyl-3-(4-oxobut-3-enyl)undec-4-ynyl]cyclopentan-1-one Traditional Name: (2R,3S)-2-[3-(4-ketobut-3-enyl)-3-oct-1-ynyl-undec-4-ynyl]-3-octyl-cyclopentanone Formula: C36H58O2 MolecularWeight: 522.84452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(=O)C1CCC(CCC=C=O)(C#CCCCCCC)C#CCCCCCC

Isomeric SMILES

CCCCCCCC[C@H]1CCC(=O)[C@@H]1CCC(CCC=C=O)(C#CCCCCCC)C#CCCCCCC

InChI

InChI=1S/C36H58O2/c1-4-7-10-13-16-19-24-33-25-26-35(38)34(33)27-31-36(30-22-23-32-37,28-20-17-14-11-8-5-2)29-21-18-15-12-9-6-3/h23,33-34H,4-19,22,24-27,30-31H2,1-3H3/t33-,34+/m0/s1