3,4-bis(butoxycarbonyl)-5-(phenylcarbonyl)phthalic acid

Systemtic Name: 3,4-bis(butoxycarbonyl)-5-(phenylcarbonyl)phthalic acid Openeye Name: 5-benzoyl-3,4-bis(butoxycarbonyl)phthalic acid CAS Name: 5-benzoyl-3,4-bis[butoxy(oxo)methyl]phthalic acid IUPAC Name: 5-benzoyl-3,4-bis(butoxycarbonyl)phthalic acid Traditional Name: 5-benzoyl-3,4-bis(butoxycarbonyl)phthalic acid Formula: C25H26O9 MolecularWeight: 470.46854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=C(C=C1C(=O)C2=CC=CC=C2)C(=O)O)C(=O)O)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=C(C(=C(C=C1C(=O)C2=CC=CC=C2)C(=O)O)C(=O)O)C(=O)OCCCC

InChI

InChI=1S/C25H26O9/c1-3-5-12-33-24(31)19-16(21(26)15-10-8-7-9-11-15)14-17(22(27)28)18(23(29)30)20(19)25(32)34-13-6-4-2/h7-11,14H,3-6,12-13H2,1-2H3,(H,27,28)(H,29,30)