19-[2-[8,19-bis(oxidanyl)-19-oxidanylidene-nonadecyl]phenyl]-12-oxidanyl-nonadecanoic acid

Systemtic Name: 19-[2-[8,19-bis(oxidanyl)-19-oxidanylidene-nonadecyl]phenyl]-12-oxidanyl-nonadecanoic acid Openeye Name: 19-[2-(8,19-dihydroxy-19-oxo-nonadecyl)phenyl]-12-hydroxy-nonadecanoic acid CAS Name: 19-[2-(8,19-dihydroxy-19-oxononadecyl)phenyl]-12-hydroxynonadecanoic acid IUPAC Name: 19-[2-(8,19-dihydroxy-19-oxononadecyl)phenyl]-12-hydroxynonadecanoic acid Traditional Name: 19-[2-(8,19-dihydroxy-19-keto-nonadecyl)phenyl]-12-hydroxy-nonadecanoic acid Formula: C44H78O6 MolecularWeight: 703.08652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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