3-(5-methyl-5-oxidanyl-hexyl)phthalic acid

Systemtic Name: 3-(5-methyl-5-oxidanyl-hexyl)phthalic acid Openeye Name: 3-(5-hydroxy-5-methyl-hexyl)phthalic acid CAS Name: 3-(5-hydroxy-5-methylhexyl)phthalic acid IUPAC Name: 3-(5-hydroxy-5-methylhexyl)phthalic acid Traditional Name: 3-(5-hydroxy-5-methyl-hexyl)phthalic acid Formula: C15H20O5 MolecularWeight: 280.3163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC1=CC=CC(=C1C(=O)O)C(=O)O)O

Isomeric SMILES

CC(C)(CCCCC1=CC=CC(=C1C(=O)O)C(=O)O)O

InChI

InChI=1S/C15H20O5/c1-15(2,20)9-4-3-6-10-7-5-8-11(13(16)17)12(10)14(18)19/h5,7-8,20H,3-4,6,9H2,1-2H3,(H,16,17)(H,18,19)