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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C28H22O12/c1-2-3-6-12-11-17(25(33)34)22(28(39)40)21(14-8-5-10-16(24(31)32)20(14)27(37)38)18(12)13-7-4-9-15(23(29)30)19(13)26(35)36/h4-5,7-11H,2-3,6H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)/p-6