2-(4-dodecoxyphenyl)ethynyl 3-(1-adamantyl)benzoate

Systemtic Name: 2-(4-dodecoxyphenyl)ethynyl 3-(1-adamantyl)benzoate Openeye Name: 2-(4-dodecoxyphenyl)ethynyl 3-(1-adamantyl)benzoate CAS Name: 3-(1-adamantyl)benzoic acid 2-(4-dodecoxyphenyl)ethynyl ester IUPAC Name: 2-(4-dodecoxyphenyl)ethynyl 3-(1-adamantyl)benzoate Traditional Name: 3-(1-adamantyl)benzoic acid 2-(4-lauryloxyphenyl)ethynyl ester Formula: C37H48O3 MolecularWeight: 540.77522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C#COC(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C#COC(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C37H48O3/c1-2-3-4-5-6-7-8-9-10-11-20-39-35-17-15-29(16-18-35)19-21-40-36(38)33-13-12-14-34(25-33)37-26-30-22-31(27-37)24-32(23-30)28-37/h12-18,25,30-32H,2-11,20,22-24,26-28H2,1H3