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

Systemtic Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C30H34O2 MolecularWeight: 426.58976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=CC(=C1)OC(=O)C2CCC(CC2)CCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCC#CC1=C(C=CC(=C1)OC(=O)C2CCC(CC2)CCC)C#CC3=CC=CC=C3

InChI

InChI=1S/C30H34O2/c1-3-5-6-10-14-28-23-29(22-21-26(28)18-15-25-12-8-7-9-13-25)32-30(31)27-19-16-24(11-4-2)17-20-27/h7-9,12-13,21-24,27H,3-6,11,16-17,19-20H2,1-2H3