tert-butyl 2-(3-chloranyl-2-hex-1-ynyl-phenoxy)ethanoate

Systemtic Name: tert-butyl 2-(3-chloranyl-2-hex-1-ynyl-phenoxy)ethanoate Openeye Name: tert-butyl 2-(3-chloro-2-hex-1-ynyl-phenoxy)acetate CAS Name: 2-(3-chloro-2-hex-1-ynylphenoxy)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-chloro-2-hex-1-ynylphenoxy)acetate Traditional Name: 2-(3-chloro-2-hex-1-ynyl-phenoxy)acetic acid tert-butyl ester Formula: C18H23ClO3 MolecularWeight: 322.82642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=CC=C1Cl)OCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC#CC1=C(C=CC=C1Cl)OCC(=O)OC(C)(C)C

InChI

InChI=1S/C18H23ClO3/c1-5-6-7-8-10-14-15(19)11-9-12-16(14)21-13-17(20)22-18(2,3)4/h9,11-12H,5-7,13H2,1-4H3