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

Systemtic Name: 2,3,6,7,10,11-hexakis(hexylsulfinyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(hexylsulfinyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(hexylsulfinyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(hexylsulfinyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(hexylsulfinyl)triphenylene Formula: C54H84O6S6 MolecularWeight: 1021.63116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H84O6S6/c1-7-13-19-25-31-61(55)49-37-43-44(38-50(49)62(56)32-26-20-14-8-2)46-40-52(64(58)34-28-22-16-10-4)54(66(60)36-30-24-18-12-6)42-48(46)47-41-53(65(59)35-29-23-17-11-5)51(39-45(43)47)63(57)33-27-21-15-9-3/h37-42H,7-36H2,1-6H3