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

Systemtic Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-(4-methylphenyl)phthalate Openeye Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-(p-tolyl)phthalate CAS Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-(4-methylphenyl)phthalate IUPAC Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-(4-methylphenyl)phthalate Traditional Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-(p-tolyl)phthalate Formula: C31H14O12-6 MolecularWeight: 578.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C(=C2C3=C(C(=CC=C3)C(=O)[O-])C(=O)[O-])C4=C(C(=CC=C4)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C(=C2C3=C(C(=CC=C3)C(=O)[O-])C(=O)[O-])C4=C(C(=CC=C4)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C31H20O12/c1-13-8-10-14(11-9-13)19-12-20(28(36)37)25(31(42)43)24(16-5-3-7-18(27(34)35)23(16)30(40)41)21(19)15-4-2-6-17(26(32)33)22(15)29(38)39/h2-12H,1H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)/p-6