4,6,11,13-tetradodecoxyhexahelicene-1,16-diol

Systemtic Name: 4,6,11,13-tetradodecoxyhexahelicene-1,16-diol Openeye Name: 4,6,11,13-tetradodecoxyhexahelicene-1,16-diol CAS Name: 4,6,11,13-tetradodecoxyhexahelicene-1,16-diol IUPAC Name: 4,6,11,13-tetradodecoxyhexahelicene-1,16-diol Traditional Name: 4,6,11,13-tetralauryloxyhexahelicene-1,16-diol Formula: C74H112O6 MolecularWeight: 1097.67748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C2C=C(C3=C(C2=C(C=C1)O)C4=C(C=C3)C=CC5=C4C6=C(C=CC(=C6C=C5OCCCCCCCCCCCC)OCCCCCCCCCCCC)O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C2C=C(C3=C(C2=C(C=C1)O)C4=C(C=C3)C=CC5=C4C6=C(C=CC(=C6C=C5OCCCCCCCCCCCC)OCCCCCCCCCCCC)O)OCCCCCCCCCCCC

InChI

InChI=1S/C74H112O6/c1-5-9-13-17-21-25-29-33-37-41-53-77-66-51-49-64(75)71-62(66)57-68(79-55-43-39-35-31-27-23-19-15-11-7-3)60-47-45-59-46-48-61-69(80-56-44-40-36-32-28-24-20-16-12-8-4)58-63-67(52-50-65(76)72(63)74(61)70(59)73(60)71)78-54-42-38-34-30-26-22-18-14-10-6-2/h45-52,57-58,75-76H,5-44,53-56H2,1-4H3