7-[4-(4-heptylcyclohexyl)-1-phenyl-2-(2-phenylethynyl)cyclopentyl]heptanoic acid

Systemtic Name: 7-[4-(4-heptylcyclohexyl)-1-phenyl-2-(2-phenylethynyl)cyclopentyl]heptanoic acid Openeye Name: 7-[4-(4-heptylcyclohexyl)-1-phenyl-2-(2-phenylethynyl)cyclopentyl]heptanoic acid CAS Name: 7-[4-(4-heptylcyclohexyl)-1-phenyl-2-(2-phenylethynyl)cyclopentyl]heptanoic acid IUPAC Name: 7-[4-(4-heptylcyclohexyl)-1-phenyl-2-(2-phenylethynyl)cyclopentyl]heptanoic acid Traditional Name: 7-[4-(4-heptylcyclohexyl)-1-phenyl-2-(2-phenylethynyl)cyclopentyl]enanthic acid Formula: C39H54O2 MolecularWeight: 554.84486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2CC(C(C2)(CCCCCCC(=O)O)C3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2CC(C(C2)(CCCCCCC(=O)O)C3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C39H54O2/c1-2-3-4-5-10-19-33-23-26-34(27-24-33)35-30-37(28-25-32-17-11-8-12-18-32)39(31-35,36-20-13-9-14-21-36)29-16-7-6-15-22-38(40)41/h8-9,11-14,17-18,20-21,33-35,37H,2-7,10,15-16,19,22-24,26-27,29-31H2,1H3,(H,40,41)