4-butyl-3-oxidanyl-phthalic acid

Systemtic Name: 4-butyl-3-oxidanyl-phthalic acid Openeye Name: 4-butyl-3-hydroxy-phthalic acid CAS Name: 4-butyl-3-hydroxyphthalic acid IUPAC Name: 4-butyl-3-hydroxyphthalic acid Traditional Name: 4-butyl-3-hydroxy-phthalic acid Formula: C12H14O5 MolecularWeight: 238.23656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O5/c1-2-3-4-7-5-6-8(11(14)15)9(10(7)13)12(16)17/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)