5-tert-butyl-7-ethynyl-3,3-dimethyl-1,2-dihydroindene

Systemtic Name: 5-tert-butyl-7-ethynyl-3,3-dimethyl-1,2-dihydroindene Openeye Name: 6-tert-butyl-4-ethynyl-1,1-dimethyl-indane CAS Name: 5-tert-butyl-7-ethynyl-3,3-dimethyl-1,2-dihydroindene IUPAC Name: 5-tert-butyl-7-ethynyl-3,3-dimethyl-1,2-dihydroindene Traditional Name: 6-tert-butyl-4-ethynyl-1,1-dimethyl-indane Formula: C17H22 MolecularWeight: 226.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C1C=C(C=C2C#C)C(C)(C)C)C

Isomeric SMILES

CC1(CCC2=C1C=C(C=C2C#C)C(C)(C)C)C

InChI

InChI=1S/C17H22/c1-7-12-10-13(16(2,3)4)11-15-14(12)8-9-17(15,5)6/h1,10-11H,8-9H2,2-6H3