3-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-4-oxidanyl-benzoic acid

Systemtic Name: 3-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-3-(5-hydroxy-1,1-dimethyl-5-oxo-pentyl)benzoic acid CAS Name: 4-hydroxy-3-(6-hydroxy-2-methyl-6-oxohexan-2-yl)benzoic acid IUPAC Name: 4-hydroxy-3-(6-hydroxy-2-methyl-6-oxohexan-2-yl)benzoic acid Traditional Name: 4-hydroxy-3-(5-hydroxy-5-keto-1,1-dimethyl-pentyl)benzoic acid Formula: C14H18O5 MolecularWeight: 266.28972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)O)C1=C(C=CC(=C1)C(=O)O)O

Isomeric SMILES

CC(C)(CCCC(=O)O)C1=C(C=CC(=C1)C(=O)O)O

InChI

InChI=1S/C14H18O5/c1-14(2,7-3-4-12(16)17)10-8-9(13(18)19)5-6-11(10)15/h5-6,8,15H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)