13-(2,3-dimethylphenyl)octadecanoic acid

Systemtic Name: 13-(2,3-dimethylphenyl)octadecanoic acid Openeye Name: 13-(2,3-dimethylphenyl)octadecanoic acid CAS Name: 13-(2,3-dimethylphenyl)octadecanoic acid IUPAC Name: 13-(2,3-dimethylphenyl)octadecanoic acid Traditional Name: 13-(2,3-dimethylphenyl)stearic acid Formula: C26H44O2 MolecularWeight: 388.62636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCCCCCCCCC(=O)O)C1=CC=CC(=C1C)C

Isomeric SMILES

CCCCCC(CCCCCCCCCCCC(=O)O)C1=CC=CC(=C1C)C

InChI

InChI=1S/C26H44O2/c1-4-5-13-18-24(25-20-16-17-22(2)23(25)3)19-14-11-9-7-6-8-10-12-15-21-26(27)28/h16-17,20,24H,4-15,18-19,21H2,1-3H3,(H,27,28)