18-[2-[7,18-bis(oxidanyl)-18-oxidanylidene-octadecyl]-3,4-dimethyl-phenyl]-12-oxidanyl-octadecanoic acid

Systemtic Name: 18-[2-[7,18-bis(oxidanyl)-18-oxidanylidene-octadecyl]-3,4-dimethyl-phenyl]-12-oxidanyl-octadecanoic acid Openeye Name: 18-[2-(7,18-dihydroxy-18-oxo-octadecyl)-3,4-dimethyl-phenyl]-12-hydroxy-octadecanoic acid CAS Name: 18-[2-(7,18-dihydroxy-18-oxooctadecyl)-3,4-dimethylphenyl]-12-hydroxyoctadecanoic acid IUPAC Name: 18-[2-(7,18-dihydroxy-18-oxooctadecyl)-3,4-dimethylphenyl]-12-hydroxyoctadecanoic acid Traditional Name: 18-[2-(7,18-dihydroxy-18-keto-octadecyl)-3,4-dimethyl-phenyl]-12-hydroxy-stearic acid Formula: C44H78O6 MolecularWeight: 703.08652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)CCCCCCC(CCCCCCCCCCC(=O)O)O)CCCCCCC(CCCCCCCCCCC(=O)O)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)CCCCCCC(CCCCCCCCCCC(=O)O)O)CCCCCCC(CCCCCCCCCCC(=O)O)O)C

InChI

InChI=1S/C44H78O6/c1-37-35-36-39(27-19-15-16-22-30-40(45)28-20-11-7-3-5-9-13-25-33-43(47)48)42(38(37)2)32-24-18-17-23-31-41(46)29-21-12-8-4-6-10-14-26-34-44(49)50/h35-36,40-41,45-46H,3-34H2,1-2H3,(H,47,48)(H,49,50)