5-(3-methyl-3-oxidanyl-but-1-ynyl)-2-octoxy-benzoic acid

Systemtic Name: 5-(3-methyl-3-oxidanyl-but-1-ynyl)-2-octoxy-benzoic acid Openeye Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)-2-octoxy-benzoic acid CAS Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-2-octoxybenzoic acid IUPAC Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-2-octoxybenzoic acid Traditional Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)-2-octoxy-benzoic acid Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C#CC(C)(C)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C#CC(C)(C)O)C(=O)O

InChI

InChI=1S/C20H28O4/c1-4-5-6-7-8-9-14-24-18-11-10-16(12-13-20(2,3)23)15-17(18)19(21)22/h10-11,15,23H,4-9,14H2,1-3H3,(H,21,22)