benzene-1,3-dicarboxylic acid; dimethyl benzene-1,2-dicarboxylate

Systemtic Name: benzene-1,3-dicarboxylic acid; dimethyl benzene-1,2-dicarboxylate Openeye Name: dimethyl benzene-1,2-dicarboxylate; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: benzene-1,3-dicarboxylic acid; dimethyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid dimethyl ester; isophthalic acid Formula: C18H16O8 MolecularWeight: 360.31484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)OC.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)OC.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C10H10O4.C8H6O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;9-7(10)5-2-1-3-6(4-5)8(11)12/h3-6H,1-2H3;1-4H,(H,9,10)(H,11,12)