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

Systemtic Name: 2,3,6,7,10,11-hexakis(tridecylsulfonyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(tridecylsulfonyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(tridecylsulfonyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(tridecylsulfonyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(tridecylsulfonyl)triphenylene Formula: C96H168O12S6 MolecularWeight: 1706.74392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC)S(=O)(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C96H168O12S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-109(97,98)91-79-85-86(80-92(91)110(99,100)74-68-62-56-50-44-38-32-26-20-14-8-2)88-82-94(112(103,104)76-70-64-58-52-46-40-34-28-22-16-10-4)96(114(107,108)78-72-66-60-54-48-42-36-30-24-18-12-6)84-90(88)89-83-95(113(105,106)77-71-65-59-53-47-41-35-29-23-17-11-5)93(81-87(85)89)111(101,102)75-69-63-57-51-45-39-33-27-21-15-9-3/h79-84H,7-78H2,1-6H3