ethynyl 4-(4-tert-butylphenyl)-2-ethyl-benzoate

Systemtic Name: ethynyl 4-(4-tert-butylphenyl)-2-ethyl-benzoate Openeye Name: ethynyl 4-(4-tert-butylphenyl)-2-ethyl-benzoate CAS Name: 4-(4-tert-butylphenyl)-2-ethylbenzoic acid ethynyl ester IUPAC Name: ethynyl 4-(4-tert-butylphenyl)-2-ethylbenzoate Traditional Name: 4-(4-tert-butylphenyl)-2-ethyl-benzoic acid ethynyl ester Formula: C21H22O2 MolecularWeight: 306.39818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC#C

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC#C

InChI

InChI=1S/C21H22O2/c1-6-15-14-17(10-13-19(15)20(22)23-7-2)16-8-11-18(12-9-16)21(3,4)5/h2,8-14H,6H2,1,3-5H3