2-methyl-4-[4-(3-methylbut-3-en-1-ynyl)-2,5-bis(oxidanyl)phenyl]butanoic acid

Systemtic Name: 2-methyl-4-[4-(3-methylbut-3-en-1-ynyl)-2,5-bis(oxidanyl)phenyl]butanoic acid Openeye Name: 4-[2,5-dihydroxy-4-(3-methylbut-3-en-1-ynyl)phenyl]-2-methyl-butanoic acid CAS Name: 4-[2,5-dihydroxy-4-(3-methylbut-3-en-1-ynyl)phenyl]-2-methylbutanoic acid IUPAC Name: 4-[2,5-dihydroxy-4-(3-methylbut-3-en-1-ynyl)phenyl]-2-methylbutanoic acid Traditional Name: 4-[2,5-dihydroxy-4-(3-methylbut-3-en-1-ynyl)phenyl]-2-methyl-butyric acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=C(C(=C1)O)C#CC(=C)C)O)C(=O)O

Isomeric SMILES

CC(CCC1=C(C=C(C(=C1)O)C#CC(=C)C)O)C(=O)O

InChI

InChI=1S/C16H18O4/c1-10(2)4-6-12-8-15(18)13(9-14(12)17)7-5-11(3)16(19)20/h8-9,11,17-18H,1,5,7H2,2-3H3,(H,19,20)