3,4-bis(2,3-dicarboxylatophenyl)-5,6-diethyl-phthalate

Systemtic Name: 3,4-bis(2,3-dicarboxylatophenyl)-5,6-diethyl-phthalate Openeye Name: 3,4-bis(2,3-dicarboxylatophenyl)-5,6-diethyl-phthalate CAS Name: 3,4-bis(2,3-dicarboxylatophenyl)-5,6-diethylphthalate IUPAC Name: 3,4-bis(2,3-dicarboxylatophenyl)-5,6-diethylphthalate Traditional Name: 3,4-bis(2,3-dicarboxylatophenyl)-5,6-diethyl-phthalate Formula: C28H16O12-6 MolecularWeight: 544.41944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1C2=C(C(=CC=C2)C(=O)[O-])C(=O)[O-])C3=C(C(=CC=C3)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])CC

Isomeric SMILES

CCC1=C(C(=C(C(=C1C2=C(C(=CC=C2)C(=O)[O-])C(=O)[O-])C3=C(C(=CC=C3)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])CC

InChI

InChI=1S/C28H22O12/c1-3-11-12(4-2)21(27(37)38)22(28(39)40)20(14-8-6-10-16(24(31)32)19(14)26(35)36)17(11)13-7-5-9-15(23(29)30)18(13)25(33)34/h5-10H,3-4H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)/p-6