4-[2,3-bis[(3,4-dicarboxylatophenyl)carbonyloxy]propoxycarbonyl]phthalate

Systemtic Name: 4-[2,3-bis[(3,4-dicarboxylatophenyl)carbonyloxy]propoxycarbonyl]phthalate Openeye Name: 4-[2,3-bis[(3,4-dicarboxylatobenzoyl)oxy]propoxycarbonyl]phthalate CAS Name: 4-[2,3-bis[(3,4-dicarboxylatophenyl)-oxomethoxy]propoxy-oxomethyl]phthalate IUPAC Name: 4-[2,3-bis[(3,4-dicarboxylatobenzoyl)oxy]propoxycarbonyl]phthalate Traditional Name: 4-[2,3-bis[(3,4-dicarboxylatobenzoyl)oxy]propoxycarbonyl]phthalate Formula: C30H14O18-6 MolecularWeight: 662.42136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(COC(=O)C2=CC(=C(C=C2)C(=O)[O-])C(=O)[O-])OC(=O)C3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(COC(=O)C2=CC(=C(C=C2)C(=O)[O-])C(=O)[O-])OC(=O)C3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C30H20O18/c31-22(32)16-4-1-12(7-19(16)25(37)38)28(43)46-10-15(48-30(45)14-3-6-18(24(35)36)21(9-14)27(41)42)11-47-29(44)13-2-5-17(23(33)34)20(8-13)26(39)40/h1-9,15H,10-11H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)/p-6