2,4-didecylbenzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-didecylbenzene-1,3-dicarboxylic acid Openeye Name: 2,4-didecylbenzene-1,3-dicarboxylic acid CAS Name: 2,4-didecylbenzene-1,3-dicarboxylic acid IUPAC Name: 2,4-didecylbenzene-1,3-dicarboxylic acid Traditional Name: 2,4-didecylisophthalic acid Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C=C1)C(=O)O)CCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C=C1)C(=O)O)CCCCCCCCCC)C(=O)O

InChI

InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-17-19-23-21-22-25(27(29)30)24(26(23)28(31)32)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3,(H,29,30)(H,31,32)