ethynyl 4-[4-(2,5-dimethylhexan-2-yl)phenyl]-2-ethyl-benzoate

Systemtic Name: ethynyl 4-[4-(2,5-dimethylhexan-2-yl)phenyl]-2-ethyl-benzoate Openeye Name: ethynyl 2-ethyl-4-[4-(1,1,4-trimethylpentyl)phenyl]benzoate CAS Name: 4-[4-(2,5-dimethylhexan-2-yl)phenyl]-2-ethylbenzoic acid ethynyl ester IUPAC Name: ethynyl 4-[4-(2,5-dimethylhexan-2-yl)phenyl]-2-ethylbenzoate Traditional Name: 2-ethyl-4-[4-(1,1,4-trimethylpentyl)phenyl]benzoic acid ethynyl ester Formula: C25H30O2 MolecularWeight: 362.5045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30O2/c1-7-19-17-21(11-14-23(19)24(26)27-8-2)20-9-12-22(13-10-20)25(5,6)16-15-18(3)4/h2,9-14,17-18H,7,15-16H2,1,3-6H3