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

Systemtic Name: 2,3,6,7,10,11-hexakis(hexylsulfonyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(hexylsulfonyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(hexylsulfonyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(hexylsulfonyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(hexylsulfonyl)triphenylene Formula: C54H84O12S6 MolecularWeight: 1117.62756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC

Isomeric SMILES

CCCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC)S(=O)(=O)CCCCCC

InChI

InChI=1S/C54H84O12S6/c1-7-13-19-25-31-67(55,56)49-37-43-44(38-50(49)68(57,58)32-26-20-14-8-2)46-40-52(70(61,62)34-28-22-16-10-4)54(72(65,66)36-30-24-18-12-6)42-48(46)47-41-53(71(63,64)35-29-23-17-11-5)51(39-45(43)47)69(59,60)33-27-21-15-9-3/h37-42H,7-36H2,1-6H3