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

Systemtic Name: 2,3,6,7,10,11-hexakis(pentylsulfonyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(pentylsulfonyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(pentylsulfonyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(pentylsulfonyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(amylsulfonyl)triphenylene Formula: C48H72O12S6 MolecularWeight: 1033.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCC)S(=O)(=O)CCCCC)S(=O)(=O)CCCCC)S(=O)(=O)CCCCC)S(=O)(=O)CCCCC

Isomeric SMILES

CCCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCCC)S(=O)(=O)CCCCC)S(=O)(=O)CCCCC)S(=O)(=O)CCCCC)S(=O)(=O)CCCCC

InChI

InChI=1S/C48H72O12S6/c1-7-13-19-25-61(49,50)43-31-37-38(32-44(43)62(51,52)26-20-14-8-2)40-34-46(64(55,56)28-22-16-10-4)48(66(59,60)30-24-18-12-6)36-42(40)41-35-47(65(57,58)29-23-17-11-5)45(33-39(37)41)63(53,54)27-21-15-9-3/h31-36H,7-30H2,1-6H3