4-octadecyl-3-oxidanyl-phthalic acid

Systemtic Name: 4-octadecyl-3-oxidanyl-phthalic acid Openeye Name: 3-hydroxy-4-octadecyl-phthalic acid CAS Name: 3-hydroxy-4-octadecylphthalic acid IUPAC Name: 3-hydroxy-4-octadecylphthalic acid Traditional Name: 3-hydroxy-4-stearyl-phthalic acid Formula: C26H42O5 MolecularWeight: 434.60868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)O

InChI

InChI=1S/C26H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22(25(28)29)23(24(21)27)26(30)31/h19-20,27H,2-18H2,1H3,(H,28,29)(H,30,31)