1,3-ditert-butyl-5-ethynyl-benzene

Systemtic Name: 1,3-ditert-butyl-5-ethynyl-benzene Openeye Name: 1,3-ditert-butyl-5-ethynyl-benzene CAS Name: 1,3-ditert-butyl-5-ethynylbenzene IUPAC Name: 1,3-ditert-butyl-5-ethynylbenzene Traditional Name: 1,3-ditert-butyl-5-ethynyl-benzene Formula: C16H22 MolecularWeight: 214.34588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22/c1-8-12-9-13(15(2,3)4)11-14(10-12)16(5,6)7/h1,9-11H,2-7H3