3-butyl-5-ethyl-phthalic acid

Systemtic Name: 3-butyl-5-ethyl-phthalic acid Openeye Name: 3-butyl-5-ethyl-phthalic acid CAS Name: 3-butyl-5-ethylphthalic acid IUPAC Name: 3-butyl-5-ethylphthalic acid Traditional Name: 3-butyl-5-ethyl-phthalic acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1)CC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=CC(=C1)CC)C(=O)O)C(=O)O

InChI

InChI=1S/C14H18O4/c1-3-5-6-10-7-9(4-2)8-11(13(15)16)12(10)14(17)18/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)