ethynyl 2-ethyl-4-[4-(4-methylpentyl)phenyl]benzoate

Systemtic Name: ethynyl 2-ethyl-4-[4-(4-methylpentyl)phenyl]benzoate Openeye Name: ethynyl 2-ethyl-4-(4-isohexylphenyl)benzoate CAS Name: 2-ethyl-4-[4-(4-methylpentyl)phenyl]benzoic acid ethynyl ester IUPAC Name: ethynyl 2-ethyl-4-[4-(4-methylpentyl)phenyl]benzoate Traditional Name: 2-ethyl-4-(4-isohexylphenyl)benzoic acid ethynyl ester Formula: C23H26O2 MolecularWeight: 334.45134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O2/c1-5-19-16-21(14-15-22(19)23(24)25-6-2)20-12-10-18(11-13-20)9-7-8-17(3)4/h2,10-17H,5,7-9H2,1,3-4H3