1,3,6,8-tetradodecylpyrene-2-thiol

Systemtic Name: 1,3,6,8-tetradodecylpyrene-2-thiol Openeye Name: 1,3,6,8-tetradodecylpyrene-2-thiol CAS Name: 1,3,6,8-tetradodecyl-2-pyrenethiol IUPAC Name: 1,3,6,8-tetradodecylpyrene-2-thiol Traditional Name: 1,3,6,8-tetralaurylpyrene-2-thiol Formula: C64H106S MolecularWeight: 907.59144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C2C=CC3=C(C(=C(C4=C3C2=C1C=C4)CCCCCCCCCCCC)S)CCCCCCCCCCCC)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C2C=CC3=C(C(=C(C4=C3C2=C1C=C4)CCCCCCCCCCCC)S)CCCCCCCCCCCC)CCCCCCCCCCCC

InChI

InChI=1S/C64H106S/c1-5-9-13-17-21-25-29-33-37-41-45-54-53-55(46-42-38-34-30-26-22-18-14-10-6-2)57-50-52-59-61(48-44-40-36-32-28-24-20-16-12-8-4)64(65)60(58-51-49-56(54)62(57)63(58)59)47-43-39-35-31-27-23-19-15-11-7-3/h49-53,65H,5-48H2,1-4H3