[2-but-1-ynyl-3-fluoranyl-4-(2-phenylethynyl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [2-but-1-ynyl-3-fluoranyl-4-(2-phenylethynyl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [2-but-1-ynyl-3-fluoro-4-(2-phenylethynyl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [2-but-1-ynyl-3-fluoro-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [2-but-1-ynyl-3-fluoro-4-(2-phenylethynyl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [2-but-1-ynyl-3-fluoro-4-(2-phenylethynyl)phenyl] ester Formula: C30H33FO2 MolecularWeight: 444.580223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#CC3=CC=CC=C3)F)C#CCC

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#CC3=CC=CC=C3)F)C#CCC

InChI

InChI=1S/C30H33FO2/c1-3-5-8-11-24-16-19-26(20-17-24)30(32)33-28-22-21-25(29(31)27(28)14-6-4-2)18-15-23-12-9-7-10-13-23/h7,9-10,12-13,21-22,24,26H,3-5,8,11,16-17,19-20H2,1-2H3