4,5-bis(2-methylpropoxycarbonyl)phthalic acid

Systemtic Name: 4,5-bis(2-methylpropoxycarbonyl)phthalic acid Openeye Name: 4,5-bis(isobutoxycarbonyl)phthalic acid CAS Name: 4,5-bis[2-methylpropoxy(oxo)methyl]phthalic acid IUPAC Name: 4,5-bis(2-methylpropoxycarbonyl)phthalic acid Traditional Name: 4,5-bis(isobutoxycarbonyl)phthalic acid Formula: C18H22O8 MolecularWeight: 366.36248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)OCC(C)C

Isomeric SMILES

CC(C)COC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)OCC(C)C

InChI

InChI=1S/C18H22O8/c1-9(2)7-25-17(23)13-5-11(15(19)20)12(16(21)22)6-14(13)18(24)26-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,19,20)(H,21,22)