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

Systemtic Name: 2,3,6,7,10,11-hexakis(heptylsulfonyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(heptylsulfonyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(heptylsulfonyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(heptylsulfonyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(heptylsulfonyl)triphenylene Formula: C60H96O12S6 MolecularWeight: 1201.78704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC

Isomeric SMILES

CCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC)S(=O)(=O)CCCCCCC

InChI

InChI=1S/C60H96O12S6/c1-7-13-19-25-31-37-73(61,62)55-43-49-50(44-56(55)74(63,64)38-32-26-20-14-8-2)52-46-58(76(67,68)40-34-28-22-16-10-4)60(78(71,72)42-36-30-24-18-12-6)48-54(52)53-47-59(77(69,70)41-35-29-23-17-11-5)57(45-51(49)53)75(65,66)39-33-27-21-15-9-3/h43-48H,7-42H2,1-6H3