18-[2-[7,18-bis(oxidanyl)-18-oxidanylidene-octadecyl]phenyl]-12-oxidanyl-octadecanoic acid

Systemtic Name: 18-[2-[7,18-bis(oxidanyl)-18-oxidanylidene-octadecyl]phenyl]-12-oxidanyl-octadecanoic acid Openeye Name: 18-[2-(7,18-dihydroxy-18-oxo-octadecyl)phenyl]-12-hydroxy-octadecanoic acid CAS Name: 18-[2-(7,18-dihydroxy-18-oxooctadecyl)phenyl]-12-hydroxyoctadecanoic acid IUPAC Name: 18-[2-(7,18-dihydroxy-18-oxooctadecyl)phenyl]-12-hydroxyoctadecanoic acid Traditional Name: 18-[2-(7,18-dihydroxy-18-keto-octadecyl)phenyl]-12-hydroxy-stearic acid Formula: C42H74O6 MolecularWeight: 675.03336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCCCCC(CCCCCCCCCCC(=O)O)O)CCCCCCC(CCCCCCCCCCC(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCCCCCC(CCCCCCCCCCC(=O)O)O)CCCCCCC(CCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C42H74O6/c43-39(31-19-9-5-1-3-7-11-23-35-41(45)46)33-21-15-13-17-27-37-29-25-26-30-38(37)28-18-14-16-22-34-40(44)32-20-10-6-2-4-8-12-24-36-42(47)48/h25-26,29-30,39-40,43-44H,1-24,27-28,31-36H2,(H,45,46)(H,47,48)