(5E)-5-[(6-bromanyl-1,2-dihydroacenaphthylen-5-yl)methylidene]-2,6-dimethyl-hept-3-yne-2,6-diol

Systemtic Name: (5E)-5-[(6-bromanyl-1,2-dihydroacenaphthylen-5-yl)methylidene]-2,6-dimethyl-hept-3-yne-2,6-diol Openeye Name: (5E)-5-[(6-bromo-1,2-dihydroacenaphthylen-5-yl)methylene]-2,6-dimethyl-hept-3-yne-2,6-diol CAS Name: (5E)-5-[(6-bromo-1,2-dihydroacenaphthylen-5-yl)methylidene]-2,6-dimethyl-3-heptyne-2,6-diol IUPAC Name: (5E)-5-[(6-bromo-1,2-dihydroacenaphthylen-5-yl)methylidene]-2,6-dimethylhept-3-yne-2,6-diol Traditional Name: (5E)-5-[(6-bromoacenaphthen-5-yl)methylene]-2,6-dimethyl-hept-3-yne-2,6-diol Formula: C22H23BrO2 MolecularWeight: 399.32082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(=CC1=C2C(=CC=C3C2=C(CC3)C=C1)Br)C(C)(C)O)O

Isomeric SMILES

CC(C)(C#C/C(=C\C1=C2C(=CC=C3C2=C(CC3)C=C1)Br)/C(C)(C)O)O

InChI

InChI=1S/C22H23BrO2/c1-21(2,24)12-11-17(22(3,4)25)13-16-8-7-14-5-6-15-9-10-18(23)20(16)19(14)15/h7-10,13,24-25H,5-6H2,1-4H3/b17-13+