2,3,6,7,10,11-hexakis(dodecylsulfonyl)triphenylene

Systemtic Name: 2,3,6,7,10,11-hexakis(dodecylsulfonyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(dodecylsulfonyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(dodecylsulfonyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(dodecylsulfonyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(laurylsulfonyl)triphenylene Formula: C90H156O12S6 MolecularWeight: 1622.58444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCC

InChI

InChI=1S/C90H156O12S6/c1-7-13-19-25-31-37-43-49-55-61-67-103(91,92)85-73-79-80(74-86(85)104(93,94)68-62-56-50-44-38-32-26-20-14-8-2)82-76-88(106(97,98)70-64-58-52-46-40-34-28-22-16-10-4)90(108(101,102)72-66-60-54-48-42-36-30-24-18-12-6)78-84(82)83-77-89(107(99,100)71-65-59-53-47-41-35-29-23-17-11-5)87(75-81(79)83)105(95,96)69-63-57-51-45-39-33-27-21-15-9-3/h73-78H,7-72H2,1-6H3