4-ethylbenzene-1,3-dicarboxylic acid

Systemtic Name: 4-ethylbenzene-1,3-dicarboxylic acid Openeye Name: 4-ethylbenzene-1,3-dicarboxylic acid CAS Name: 4-ethylbenzene-1,3-dicarboxylic acid IUPAC Name: 4-ethylbenzene-1,3-dicarboxylic acid Traditional Name: 4-ethylisophthalic acid Formula: C10H10O4 MolecularWeight: 194.184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C10H10O4/c1-2-6-3-4-7(9(11)12)5-8(6)10(13)14/h3-5H,2H2,1H3,(H,11,12)(H,13,14)