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

Systemtic Name: 2,3,6,7,10,11-hexakis(undecylsulfonyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(undecylsulfonyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(undecylsulfonyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(undecylsulfonyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(undecylsulfonyl)triphenylene Formula: C84H144O12S6 MolecularWeight: 1538.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCC

InChI

InChI=1S/C84H144O12S6/c1-7-13-19-25-31-37-43-49-55-61-97(85,86)79-67-73-74(68-80(79)98(87,88)62-56-50-44-38-32-26-20-14-8-2)76-70-82(100(91,92)64-58-52-46-40-34-28-22-16-10-4)84(102(95,96)66-60-54-48-42-36-30-24-18-12-6)72-78(76)77-71-83(101(93,94)65-59-53-47-41-35-29-23-17-11-5)81(69-75(73)77)99(89,90)63-57-51-45-39-33-27-21-15-9-3/h67-72H,7-66H2,1-6H3