3-ethyl-4-(2-methylpropyl)phthalate

Systemtic Name: 3-ethyl-4-(2-methylpropyl)phthalate Openeye Name: 3-ethyl-4-isobutyl-phthalate CAS Name: 3-ethyl-4-(2-methylpropyl)phthalate IUPAC Name: 3-ethyl-4-(2-methylpropyl)phthalate Traditional Name: 3-ethyl-4-isobutyl-phthalate Formula: C14H16O4-2 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CC(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CC(C)C

InChI

InChI=1S/C14H18O4/c1-4-10-9(7-8(2)3)5-6-11(13(15)16)12(10)14(17)18/h5-6,8H,4,7H2,1-3H3,(H,15,16)(H,17,18)/p-2