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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCCC(C)C

InChI

InChI=1S/C23H26O2/c1-4-25-23(24)22-16-14-21(15-17-22)13-12-20-10-8-19(9-11-20)7-5-6-18(2)3/h8-11,14-18H,4-7H2,1-3H3