(E)-3-methyl-6-(2-phenylethynyl)tetradec-2-en-8-yn-7-ol

Systemtic Name: (E)-3-methyl-6-(2-phenylethynyl)tetradec-2-en-8-yn-7-ol Openeye Name: (E)-3-methyl-6-(2-phenylethynyl)tetradec-2-en-8-yn-7-ol CAS Name: (E)-3-methyl-6-(2-phenylethynyl)-7-tetradec-2-en-8-ynol IUPAC Name: (E)-3-methyl-6-(2-phenylethynyl)tetradec-2-en-8-yn-7-ol Traditional Name: (E)-3-methyl-6-(2-phenylethynyl)tetradec-2-en-8-yn-7-ol Formula: C23H30O MolecularWeight: 322.4837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O/c1-4-6-7-8-12-15-23(24)22(18-16-20(3)5-2)19-17-21-13-10-9-11-14-21/h5,9-11,13-14,22-24H,4,6-8,16,18H2,1-3H3/b20-5+