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

Systemtic Name: 2,3,6,7,10,11-hexakis(nonylsulfonyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(nonylsulfonyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(nonylsulfonyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(nonylsulfonyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(nonylsulfonyl)triphenylene Formula: C72H120O12S6 MolecularWeight: 1370.106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC)S(=O)(=O)CCCCCCCCC

InChI

InChI=1S/C72H120O12S6/c1-7-13-19-25-31-37-43-49-85(73,74)67-55-61-62(56-68(67)86(75,76)50-44-38-32-26-20-14-8-2)64-58-70(88(79,80)52-46-40-34-28-22-16-10-4)72(90(83,84)54-48-42-36-30-24-18-12-6)60-66(64)65-59-71(89(81,82)53-47-41-35-29-23-17-11-5)69(57-63(61)65)87(77,78)51-45-39-33-27-21-15-9-3/h55-60H,7-54H2,1-6H3