3,4-bis(2,3-dicarboxylatophenyl)-5-ethyl-phthalate

Systemtic Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-ethyl-phthalate Openeye Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-ethyl-phthalate CAS Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-ethylphthalate IUPAC Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-ethylphthalate Traditional Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-ethyl-phthalate Formula: C26H12O12-6 MolecularWeight: 516.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])C2=C(C(=CC=C2)C(=O)[O-])C(=O)[O-])C3=C(C(=CC=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C(=C1)C(=O)[O-])C(=O)[O-])C2=C(C(=CC=C2)C(=O)[O-])C(=O)[O-])C3=C(C(=CC=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C26H18O12/c1-2-10-9-15(23(31)32)20(26(37)38)19(12-6-4-8-14(22(29)30)18(12)25(35)36)16(10)11-5-3-7-13(21(27)28)17(11)24(33)34/h3-9H,2H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)/p-6