benzene-1,3-dicarboxylic acid; diphenyl benzene-1,4-dicarboxylate

Systemtic Name: benzene-1,3-dicarboxylic acid; diphenyl benzene-1,4-dicarboxylate Openeye Name: diphenyl benzene-1,4-dicarboxylate; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; benzene-1,4-dicarboxylic acid diphenyl ester IUPAC Name: benzene-1,3-dicarboxylic acid; diphenyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid diphenyl ester; isophthalic acid Formula: C28H20O8 MolecularWeight: 484.4536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C20H14O4.C8H6O4/c21-19(23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)24-18-9-5-2-6-10-18;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-14H;1-4H,(H,9,10)(H,11,12)