[(3S)-3,4,4-trimethylpent-1-yn-3-yl]benzene

Systemtic Name: [(3S)-3,4,4-trimethylpent-1-yn-3-yl]benzene Openeye Name: [(1S)-1-tert-butyl-1-methyl-prop-2-ynyl]benzene CAS Name: [(3S)-3,4,4-trimethylpent-1-yn-3-yl]benzene IUPAC Name: [(3S)-3,4,4-trimethylpent-1-yn-3-yl]benzene Traditional Name: [(1S)-1-tert-butyl-1-methyl-prop-2-ynyl]benzene Formula: C14H18 MolecularWeight: 186.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C)(C#C)C1=CC=CC=C1

Isomeric SMILES

C[C@](C#C)(C1=CC=CC=C1)C(C)(C)C

InChI

InChI=1S/C14H18/c1-6-14(5,13(2,3)4)12-10-8-7-9-11-12/h1,7-11H,2-5H3/t14-/m0/s1