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

Systemtic Name: 2,3,6,7,10,11-hexakis(hexadecylsulfonyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(hexadecylsulfonyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(hexadecylsulfonyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(hexadecylsulfonyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(cetylsulfonyl)triphenylene Formula: C114H204O12S6 MolecularWeight: 1959.22236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C114H204O12S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-127(115,116)109-97-103-104(98-110(109)128(117,118)92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)106-100-112(130(121,122)94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)114(132(125,126)96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)102-108(106)107-101-113(131(123,124)95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)111(99-105(103)107)129(119,120)93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3/h97-102H,7-96H2,1-6H3