4,4,6-trimethyl-1-phenyl-hept-1-yne-3,5-diol

Systemtic Name: 4,4,6-trimethyl-1-phenyl-hept-1-yne-3,5-diol Openeye Name: 4,4,6-trimethyl-1-phenyl-hept-1-yne-3,5-diol CAS Name: 4,4,6-trimethyl-1-phenyl-1-heptyne-3,5-diol IUPAC Name: 4,4,6-trimethyl-1-phenylhept-1-yne-3,5-diol Traditional Name: 4,4,6-trimethyl-1-phenyl-hept-1-yne-3,5-diol Formula: C16H22O2 MolecularWeight: 246.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)(C)C(C#CC1=CC=CC=C1)O)O

Isomeric SMILES

CC(C)C(C(C)(C)C(C#CC1=CC=CC=C1)O)O

InChI

InChI=1S/C16H22O2/c1-12(2)15(18)16(3,4)14(17)11-10-13-8-6-5-7-9-13/h5-9,12,14-15,17-18H,1-4H3