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

Systemtic Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-propyl-phthalate Openeye Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-propyl-phthalate CAS Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-propylphthalate IUPAC Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-propylphthalate Traditional Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-propyl-phthalate Formula: C27H14O12-6 MolecularWeight: 530.39286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C27H20O12/c1-2-5-11-10-16(24(32)33)21(27(38)39)20(13-7-4-9-15(23(30)31)19(13)26(36)37)17(11)12-6-3-8-14(22(28)29)18(12)25(34)35/h3-4,6-10H,2,5H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)/p-6