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

Systemtic Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-ethylcyclohexane-1-carboxylate Openeye Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-ethylcyclohexanecarboxylate CAS Name: 4-ethyl-1-cyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-ethylcyclohexane-1-carboxylate Traditional Name: 4-ethylcyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C28H30O2 MolecularWeight: 398.5366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30O2/c1-3-5-7-12-26-21-27(30-28(29)25-17-13-22(4-2)14-18-25)20-19-24(26)16-15-23-10-8-6-9-11-23/h6,8-11,19-22,25H,3-5,13-14,17-18H2,1-2H3