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

Systemtic Name: 2,3,6,7,10,11-hexakis(octylsulfonyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(octylsulfonyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(octylsulfonyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(octylsulfonyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(octylsulfonyl)triphenylene Formula: C66H108O12S6 MolecularWeight: 1285.94652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC)S(=O)(=O)CCCCCCCC

InChI

InChI=1S/C66H108O12S6/c1-7-13-19-25-31-37-43-79(67,68)61-49-55-56(50-62(61)80(69,70)44-38-32-26-20-14-8-2)58-52-64(82(73,74)46-40-34-28-22-16-10-4)66(84(77,78)48-42-36-30-24-18-12-6)54-60(58)59-53-65(83(75,76)47-41-35-29-23-17-11-5)63(51-57(55)59)81(71,72)45-39-33-27-21-15-9-3/h49-54H,7-48H2,1-6H3