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

Systemtic Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-phenyl-phthalate Openeye Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-phenyl-phthalate CAS Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-phenylphthalate IUPAC Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-phenylphthalate Traditional Name: 3,4-bis(2,3-dicarboxylatophenyl)-5-phenyl-phthalate Formula: C30H12O12-6 MolecularWeight: 564.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C30H18O12/c31-25(32)16-10-4-8-14(21(16)28(37)38)20-18(13-6-2-1-3-7-13)12-19(27(35)36)24(30(41)42)23(20)15-9-5-11-17(26(33)34)22(15)29(39)40/h1-12H,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)/p-6