(1S,2S)-1-ethynyl-2-(3-methylbuta-1,2-dienyl)cyclohexane

Systemtic Name: (1S,2S)-1-ethynyl-2-(3-methylbuta-1,2-dienyl)cyclohexane Openeye Name: (1S,2S)-1-ethynyl-2-(3-methylbuta-1,2-dienyl)cyclohexane CAS Name: (1S,2S)-1-ethynyl-2-(3-methylbuta-1,2-dienyl)cyclohexane IUPAC Name: (1S,2S)-1-ethynyl-2-(3-methylbuta-1,2-dienyl)cyclohexane Traditional Name: (1S,2S)-1-ethynyl-2-(3-methylbuta-1,2-dienyl)cyclohexane Formula: C13H18 MolecularWeight: 174.28202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C=CC1CCCCC1C#C)C

Isomeric SMILES

CC(=C=C[C@@H]1CCCC[C@@H]1C#C)C

InChI

InChI=1S/C13H18/c1-4-12-7-5-6-8-13(12)10-9-11(2)3/h1,10,12-13H,5-8H2,2-3H3/t12-,13-/m0/s1