2-(3-methyl-3-phenyl-but-1-ynyl)naphthalene ethanoate

Systemtic Name: 2-(3-methyl-3-phenyl-but-1-ynyl)naphthalene ethanoate Openeye Name: 2-(3-methyl-3-phenyl-but-1-ynyl)naphthalene acetate CAS Name: 2-(3-methyl-3-phenylbut-1-ynyl)naphthalene acetate IUPAC Name: 2-(3-methyl-3-phenylbut-1-ynyl)naphthalene acetate Traditional Name: 2-(3-methyl-3-phenyl-but-1-ynyl)naphthalene acetate Formula: C23H21O2- MolecularWeight: 329.41164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C#CC1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

CC(=O)[O-].CC(C)(C#CC1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C21H18.C2H4O2/c1-21(2,20-10-4-3-5-11-20)15-14-17-12-13-18-8-6-7-9-19(18)16-17;1-2(3)4/h3-13,16H,1-2H3;1H3,(H,3,4)/p-1