2-octadecoxybenzene-1,3-dicarboxylic acid

Systemtic Name: 2-octadecoxybenzene-1,3-dicarboxylic acid Openeye Name: 2-octadecoxybenzene-1,3-dicarboxylic acid CAS Name: 2-octadecoxybenzene-1,3-dicarboxylic acid IUPAC Name: 2-octadecoxybenzene-1,3-dicarboxylic acid Traditional Name: 2-stearyloxyisophthalic acid Formula: C26H42O5 MolecularWeight: 434.60868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C26H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-24-22(25(27)28)19-18-20-23(24)26(29)30/h18-20H,2-17,21H2,1H3,(H,27,28)(H,29,30)