8,9-didodecoxy-6,11-bis(oxidanyl)hexahelicene-1,4,13,16-tetrone

Systemtic Name: 8,9-didodecoxy-6,11-bis(oxidanyl)hexahelicene-1,4,13,16-tetrone Openeye Name: 8,9-didodecoxy-6,11-dihydroxy-hexahelicene-1,4,13,16-tetrone CAS Name: 8,9-didodecoxy-6,11-dihydroxyhexahelicene-1,4,13,16-tetrone IUPAC Name: 8,9-didodecoxy-6,11-dihydroxyhexahelicene-1,4,13,16-tetrone Traditional Name: 6,11-dihydroxy-8,9-dilauryloxy-hexahelicene-1,4,13,16-diquinone Formula: C50H60O8 MolecularWeight: 789.0066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC2=C(C=C3C(=O)C=CC(=O)C3=C2C4=C1C(=CC5=C(C=C6C(=O)C=CC(=O)C6=C54)O)OCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC2=C(C=C3C(=O)C=CC(=O)C3=C2C4=C1C(=CC5=C(C=C6C(=O)C=CC(=O)C6=C54)O)OCCCCCCCCCCCC)O

InChI

InChI=1S/C50H60O8/c1-3-5-7-9-11-13-15-17-19-21-27-57-43-31-35-41(55)29-33-37(51)23-25-39(53)45(33)47(35)50-48-36(42(56)30-34-38(52)24-26-40(54)46(34)48)32-44(49(43)50)58-28-22-20-18-16-14-12-10-8-6-4-2/h23-26,29-32,55-56H,3-22,27-28H2,1-2H3