tert-butyl 4-[(E)-2-butyloct-1-en-3-ynyl]benzoate

Systemtic Name: tert-butyl 4-[(E)-2-butyloct-1-en-3-ynyl]benzoate Openeye Name: tert-butyl 4-[(E)-2-butyloct-1-en-3-ynyl]benzoate CAS Name: 4-[(E)-2-butyloct-1-en-3-ynyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-2-butyloct-1-en-3-ynyl]benzoate Traditional Name: 4-[(E)-2-butyloct-1-en-3-ynyl]benzoic acid tert-butyl ester Formula: C23H32O2 MolecularWeight: 340.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=CC1=CC=C(C=C1)C(=O)OC(C)(C)C)CCCC

Isomeric SMILES

CCCCC#C/C(=C/C1=CC=C(C=C1)C(=O)OC(C)(C)C)/CCCC

InChI

InChI=1S/C23H32O2/c1-6-8-10-11-13-19(12-9-7-2)18-20-14-16-21(17-15-20)22(24)25-23(3,4)5/h14-18H,6-10,12H2,1-5H3/b19-18+