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

Systemtic Name: 2,3,6,7,10,11-hexakis(butylsulfonyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(butylsulfonyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(butylsulfonyl)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(butylsulfonyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(butylsulfonyl)triphenylene Formula: C42H60O12S6 MolecularWeight: 949.3086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCC)S(=O)(=O)CCCC)S(=O)(=O)CCCC)S(=O)(=O)CCCC)S(=O)(=O)CCCC

Isomeric SMILES

CCCCS(=O)(=O)C1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)S(=O)(=O)CCCC)S(=O)(=O)CCCC)S(=O)(=O)CCCC)S(=O)(=O)CCCC)S(=O)(=O)CCCC

InChI

InChI=1S/C42H60O12S6/c1-7-13-19-55(43,44)37-25-31-32(26-38(37)56(45,46)20-14-8-2)34-28-40(58(49,50)22-16-10-4)42(60(53,54)24-18-12-6)30-36(34)35-29-41(59(51,52)23-17-11-5)39(27-33(31)35)57(47,48)21-15-9-3/h25-30H,7-24H2,1-6H3