3-ethyl-4-(2-methylpropyl)phthalic acid

Systemtic Name: 3-ethyl-4-(2-methylpropyl)phthalic acid Openeye Name: 3-ethyl-4-isobutyl-phthalic acid CAS Name: 3-ethyl-4-(2-methylpropyl)phthalic acid IUPAC Name: 3-ethyl-4-(2-methylpropyl)phthalic acid Traditional Name: 3-ethyl-4-isobutyl-phthalic acid Formula: C14H18O4 MolecularWeight: 250.29032

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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)