18-[3,7,10,11-tetrakis(oxidanyl)-6-(18-oxidanyl-18-oxidanylidene-octadecyl)triphenylen-2-yl]octadecanoic acid

Systemtic Name: 18-[3,7,10,11-tetrakis(oxidanyl)-6-(18-oxidanyl-18-oxidanylidene-octadecyl)triphenylen-2-yl]octadecanoic acid Openeye Name: 18-[3,7,10,11-tetrahydroxy-6-(18-hydroxy-18-oxo-octadecyl)triphenylen-2-yl]octadecanoic acid CAS Name: 18-[3,7,10,11-tetrahydroxy-6-(18-hydroxy-18-oxooctadecyl)-2-triphenylenyl]octadecanoic acid IUPAC Name: 18-[3,7,10,11-tetrahydroxy-6-(18-hydroxy-18-oxooctadecyl)triphenylen-2-yl]octadecanoic acid Traditional Name: 18-[3,7,10,11-tetrahydroxy-6-(18-hydroxy-18-keto-octadecyl)triphenylen-2-yl]stearic acid Formula: C54H80O8 MolecularWeight: 857.2082

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1CCCCCCCCCCCCCCCCCC(=O)O)O)O)O)CCCCCCCCCCCCCCCCCC(=O)O)O

Isomeric SMILES

C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1CCCCCCCCCCCCCCCCCC(=O)O)O)O)O)CCCCCCCCCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C54H80O8/c55-49-37-45-43-35-41(31-27-23-19-15-11-7-3-1-5-9-13-17-21-25-29-33-53(59)60)50(56)38-46(43)48-40-52(58)51(57)39-47(48)44(45)36-42(49)32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34-54(61)62/h35-40,55-58H,1-34H2,(H,59,60)(H,61,62)