benzene-1,3-dicarboxylic acid; 1,3-dimethylbenzene

Systemtic Name: benzene-1,3-dicarboxylic acid; 1,3-dimethylbenzene Openeye Name: isophthalic acid; m-xylene CAS Name: benzene-1,3-dicarboxylic acid; 1,3-xylene IUPAC Name: benzene-1,3-dicarboxylic acid; 1,3-xylene Traditional Name: isophthalic acid; m-xylene Formula: C16H16O4 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4.C8H10/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-7-4-3-5-8(2)6-7/h1-4H,(H,9,10)(H,11,12);3-6H,1-2H3