3-(4-methyl-4-oxidanyl-pentyl)phthalate

Systemtic Name: 3-(4-methyl-4-oxidanyl-pentyl)phthalate Openeye Name: 3-(4-hydroxy-4-methyl-pentyl)phthalate CAS Name: 3-(4-hydroxy-4-methylpentyl)phthalate IUPAC Name: 3-(4-hydroxy-4-methylpentyl)phthalate Traditional Name: 3-(4-hydroxy-4-methyl-pentyl)phthalate Formula: C14H16O5-2 MolecularWeight: 264.27384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-])O

Isomeric SMILES

CC(C)(CCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-])O

InChI

InChI=1S/C14H18O5/c1-14(2,19)8-4-6-9-5-3-7-10(12(15)16)11(9)13(17)18/h3,5,7,19H,4,6,8H2,1-2H3,(H,15,16)(H,17,18)/p-2