3-butan-2-yloxycarbonylphthalic acid

Systemtic Name: 3-butan-2-yloxycarbonylphthalic acid Openeye Name: 3-sec-butoxycarbonylphthalic acid CAS Name: 3-[butan-2-yloxy(oxo)methyl]phthalic acid IUPAC Name: 3-butan-2-yloxycarbonylphthalic acid Traditional Name: 3-sec-butoxycarbonylphthalic acid Formula: C13H14O6 MolecularWeight: 266.24666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O6/c1-3-7(2)19-13(18)9-6-4-5-8(11(14)15)10(9)12(16)17/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)