[3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-heptylcyclohexane-1-carboxylate

Systemtic Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C33H40O2 MolecularWeight: 468.6695

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCC

InChI

InChI=1S/C33H40O2/c1-3-5-7-8-11-16-28-19-22-30(23-20-28)33(34)35-32-25-24-29(31(26-32)17-10-6-4-2)21-18-27-14-12-9-13-15-27/h9,12-15,24-26,28,30H,3-8,11,16,19-20,22-23H2,1-2H3