4,6,11,13-tetradodecoxyhexahelicene-1,2,15,16-tetrone

Systemtic Name: 4,6,11,13-tetradodecoxyhexahelicene-1,2,15,16-tetrone Openeye Name: 4,6,11,13-tetradodecoxyhexahelicene-1,2,15,16-tetrone CAS Name: 4,6,11,13-tetradodecoxyhexahelicene-1,2,15,16-tetrone IUPAC Name: 4,6,11,13-tetradodecoxyhexahelicene-1,2,15,16-tetrone Traditional Name: 4,6,11,13-tetralauryloxyhexahelicene-1,2,15,16-diquinone Formula: C74H108O8 MolecularWeight: 1125.64452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=O)C(=O)C2=C3C(=C(C=C12)OCCCCCCCCCCCC)C=CC4=C3C5=C6C(=CC(=C5C=C4)OCCCCCCCCCCCC)C(=CC(=O)C6=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=O)C(=O)C2=C3C(=C(C=C12)OCCCCCCCCCCCC)C=CC4=C3C5=C6C(=CC(=C5C=C4)OCCCCCCCCCCCC)C(=CC(=O)C6=O)OCCCCCCCCCCCC

InChI

InChI=1S/C74H108O8/c1-5-9-13-17-21-25-29-33-37-41-49-79-64-53-60-66(81-51-43-39-35-31-27-23-19-15-11-7-3)55-62(75)73(77)71(60)69-58(64)47-45-57-46-48-59-65(80-50-42-38-34-30-26-22-18-14-10-6-2)54-61-67(56-63(76)74(78)72(61)70(59)68(57)69)82-52-44-40-36-32-28-24-20-16-12-8-4/h45-48,53-56H,5-44,49-52H2,1-4H3