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

Systemtic Name: [4-(2-phenylethynyl)-3-prop-1-ynyl-phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-(2-phenylethynyl)-3-prop-1-ynyl-phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-(2-phenylethynyl)-3-prop-1-ynylphenyl] ester IUPAC Name: [4-(2-phenylethynyl)-3-prop-1-ynylphenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-(2-phenylethynyl)-3-prop-1-ynyl-phenyl] ester Formula: C27H28O2 MolecularWeight: 384.51002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CC

Isomeric SMILES

CCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CC

InChI

InChI=1S/C27H28O2/c1-3-8-21-13-16-24(17-14-21)27(28)29-26-19-18-23(25(20-26)9-4-2)15-12-22-10-6-5-7-11-22/h5-7,10-11,18-21,24H,3,8,13-14,16-17H2,1-2H3