3-(5-methyl-5-oxidanyl-hexyl)phthalate

Systemtic Name: 3-(5-methyl-5-oxidanyl-hexyl)phthalate Openeye Name: 3-(5-hydroxy-5-methyl-hexyl)phthalate CAS Name: 3-(5-hydroxy-5-methylhexyl)phthalate IUPAC Name: 3-(5-hydroxy-5-methylhexyl)phthalate Traditional Name: 3-(5-hydroxy-5-methyl-hexyl)phthalate Formula: C15H18O5-2 MolecularWeight: 278.30042

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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)/p-2