3-butyl-5-hexyl-4-hex-1-ynyl-phenol

Systemtic Name: 3-butyl-5-hexyl-4-hex-1-ynyl-phenol Openeye Name: 3-butyl-5-hexyl-4-hex-1-ynyl-phenol CAS Name: 3-butyl-5-hexyl-4-hex-1-ynylphenol IUPAC Name: 3-butyl-5-hexyl-4-hex-1-ynylphenol Traditional Name: 3-butyl-5-hexyl-4-hex-1-ynyl-phenol Formula: C22H34O MolecularWeight: 314.50476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=CC(=C1)O)CCCC)C#CCCCC

Isomeric SMILES

CCCCCCC1=C(C(=CC(=C1)O)CCCC)C#CCCCC

InChI

InChI=1S/C22H34O/c1-4-7-10-12-15-20-18-21(23)17-19(14-9-6-3)22(20)16-13-11-8-5-2/h17-18,23H,4-12,14-15H2,1-3H3