3-methyl-4-(3-oxidanylpropyl)phthalate

Systemtic Name: 3-methyl-4-(3-oxidanylpropyl)phthalate Openeye Name: 4-(3-hydroxypropyl)-3-methyl-phthalate CAS Name: 4-(3-hydroxypropyl)-3-methylphthalate IUPAC Name: 4-(3-hydroxypropyl)-3-methylphthalate Traditional Name: 4-(3-hydroxypropyl)-3-methyl-phthalate Formula: C12H12O5-2 MolecularWeight: 236.22068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CCCO

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CCCO

InChI

InChI=1S/C12H14O5/c1-7-8(3-2-6-13)4-5-9(11(14)15)10(7)12(16)17/h4-5,13H,2-3,6H2,1H3,(H,14,15)(H,16,17)/p-2