2,4-bis(3-methyl-4-oxidanyl-phenyl)benzene-1,3-dicarboxylate

Systemtic Name: 2,4-bis(3-methyl-4-oxidanyl-phenyl)benzene-1,3-dicarboxylate Openeye Name: 2,4-bis(4-hydroxy-3-methyl-phenyl)benzene-1,3-dicarboxylate CAS Name: 2,4-bis(4-hydroxy-3-methylphenyl)benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis(4-hydroxy-3-methylphenyl)benzene-1,3-dicarboxylate Traditional Name: 2,4-bis(4-hydroxy-3-methyl-phenyl)isophthalate Formula: C22H16O6-2 MolecularWeight: 376.35884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18O6/c1-11-9-13(3-7-17(11)23)15-5-6-16(21(25)26)19(20(15)22(27)28)14-4-8-18(24)12(2)10-14/h3-10,23-24H,1-2H3,(H,25,26)(H,27,28)/p-2