19-[3-[8,19-bis(oxidanyl)-19-oxidanylidene-nonadecyl]phenyl]-12-oxidanyl-nonadecanoic acid

Systemtic Name: 19-[3-[8,19-bis(oxidanyl)-19-oxidanylidene-nonadecyl]phenyl]-12-oxidanyl-nonadecanoic acid Openeye Name: 19-[3-(8,19-dihydroxy-19-oxo-nonadecyl)phenyl]-12-hydroxy-nonadecanoic acid CAS Name: 19-[3-(8,19-dihydroxy-19-oxononadecyl)phenyl]-12-hydroxynonadecanoic acid IUPAC Name: 19-[3-(8,19-dihydroxy-19-oxononadecyl)phenyl]-12-hydroxynonadecanoic acid Traditional Name: 19-[3-(8,19-dihydroxy-19-keto-nonadecyl)phenyl]-12-hydroxy-nonadecanoic acid Formula: C44H78O6 MolecularWeight: 703.08652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCCCCCCC(CCCCCCCCCCC(=O)O)O)CCCCCCCC(CCCCCCCCCCC(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)CCCCCCCC(CCCCCCCCCCC(=O)O)O)CCCCCCCC(CCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C44H78O6/c45-41(32-21-13-5-1-3-7-17-25-36-43(47)48)34-23-15-9-11-19-28-39-30-27-31-40(38-39)29-20-12-10-16-24-35-42(46)33-22-14-6-2-4-8-18-26-37-44(49)50/h27,30-31,38,41-42,45-46H,1-26,28-29,32-37H2,(H,47,48)(H,49,50)