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

Systemtic Name: 2,3,6,7,10,11-hexakis(heptadecylsulfonyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(heptadecylsulfonyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(heptadecylsulfonyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(heptadecylsulfonyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(heptadecylsulfonyl)triphenylene Formula: C120H216O12S6 MolecularWeight: 2043.38184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C120H216O12S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-133(121,122)115-103-109-110(104-116(115)134(123,124)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)112-106-118(136(127,128)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)120(138(131,132)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)108-114(112)113-107-119(137(129,130)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)117(105-111(109)113)135(125,126)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h103-108H,7-102H2,1-6H3