4-[(4-dodecylphenyl)-oxidanyl-methyl]-4,5-bis(oxidanyl)hexanoic acid

Systemtic Name: 4-[(4-dodecylphenyl)-oxidanyl-methyl]-4,5-bis(oxidanyl)hexanoic acid Openeye Name: 4-[(4-dodecylphenyl)-hydroxy-methyl]-4,5-dihydroxy-hexanoic acid CAS Name: 4-[(4-dodecylphenyl)-hydroxymethyl]-4,5-dihydroxyhexanoic acid IUPAC Name: 4-[(4-dodecylphenyl)-hydroxymethyl]-4,5-dihydroxyhexanoic acid Traditional Name: 4,5-dihydroxy-4-[hydroxy-(4-laurylphenyl)methyl]hexanoic acid Formula: C25H42O5 MolecularWeight: 422.59798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(C(CCC(=O)O)(C(C)O)O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(C(CCC(=O)O)(C(C)O)O)O

InChI

InChI=1S/C25H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-21-14-16-22(17-15-21)24(29)25(30,20(2)26)19-18-23(27)28/h14-17,20,24,26,29-30H,3-13,18-19H2,1-2H3,(H,27,28)