[3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-octylcyclohexane-1-carboxylate

Systemtic Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-octylcyclohexane-1-carboxylate Openeye Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-octylcyclohexanecarboxylate CAS Name: 4-octyl-1-cyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-octylcyclohexane-1-carboxylate Traditional Name: 4-octylcyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C35H44O2 MolecularWeight: 496.72266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCCC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCCC

InChI

InChI=1S/C35H44O2/c1-3-5-7-9-10-12-18-30-21-24-32(25-22-30)35(36)37-34-27-26-31(23-20-29-16-13-11-14-17-29)33(28-34)19-15-8-6-4-2/h11,13-14,16-17,26-28,30,32H,3-10,12,18,21-22,24-25H2,1-2H3