3-(2-oxidanylbutan-2-yl)phthalic acid

Systemtic Name: 3-(2-oxidanylbutan-2-yl)phthalic acid Openeye Name: 3-(1-hydroxy-1-methyl-propyl)phthalic acid CAS Name: 3-(2-hydroxybutan-2-yl)phthalic acid IUPAC Name: 3-(2-hydroxybutan-2-yl)phthalic acid Traditional Name: 3-(1-hydroxy-1-methyl-propyl)phthalic acid Formula: C12H14O5 MolecularWeight: 238.23656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O5/c1-3-12(2,17)8-6-4-5-7(10(13)14)9(8)11(15)16/h4-6,17H,3H2,1-2H3,(H,13,14)(H,15,16)