1-ethyl-2-(3,4,4-trimethylpent-1-yn-3-yl)benzene

Systemtic Name: 1-ethyl-2-(3,4,4-trimethylpent-1-yn-3-yl)benzene Openeye Name: 1-(1-tert-butyl-1-methyl-prop-2-ynyl)-2-ethyl-benzene CAS Name: 1-ethyl-2-(3,4,4-trimethylpent-1-yn-3-yl)benzene IUPAC Name: 1-ethyl-2-(3,4,4-trimethylpent-1-yn-3-yl)benzene Traditional Name: 1-(1-tert-butyl-1-methyl-prop-2-ynyl)-2-ethyl-benzene Formula: C16H22 MolecularWeight: 214.34588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(C)(C#C)C(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1C(C)(C#C)C(C)(C)C

InChI

InChI=1S/C16H22/c1-7-13-11-9-10-12-14(13)16(6,8-2)15(3,4)5/h2,9-12H,7H2,1,3-6H3