3-pentan-3-ylphthalic acid

Systemtic Name: 3-pentan-3-ylphthalic acid Openeye Name: 3-(1-ethylpropyl)phthalic acid CAS Name: 3-pentan-3-ylphthalic acid IUPAC Name: 3-pentan-3-ylphthalic acid Traditional Name: 3-(1-ethylpropyl)phthalic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CCC(CC)C1=CC=CC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C13H16O4/c1-3-8(4-2)9-6-5-7-10(12(14)15)11(9)13(16)17/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17)