3-[1,1,2,2,2-pentakis(decan-2-ylsulfonyl)ethylsulfanyl]propan-1-ol

Systemtic Name: 3-[1,1,2,2,2-pentakis(decan-2-ylsulfonyl)ethylsulfanyl]propan-1-ol Openeye Name: 3-[1,1,2,2,2-pentakis(1-methylnonylsulfonyl)ethylsulfanyl]propan-1-ol CAS Name: 3-[1,1,2,2,2-pentakis(decan-2-ylsulfonyl)ethylthio]-1-propanol IUPAC Name: 3-[1,1,2,2,2-pentakis(decan-2-ylsulfonyl)ethylsulfanyl]propan-1-ol Traditional Name: 3-[1,1,2,2,2-pentakis(1-methylnonylsulfonyl)ethylthio]propan-1-ol Formula: C55H112O11S6 MolecularWeight: 1141.86118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)S(=O)(=O)C(C(S(=O)(=O)C(C)CCCCCCCC)(S(=O)(=O)C(C)CCCCCCCC)S(=O)(=O)C(C)CCCCCCCC)(SCCCO)S(=O)(=O)C(C)CCCCCCCC

Isomeric SMILES

CCCCCCCCC(C)S(=O)(=O)C(C(S(=O)(=O)C(C)CCCCCCCC)(S(=O)(=O)C(C)CCCCCCCC)S(=O)(=O)C(C)CCCCCCCC)(SCCCO)S(=O)(=O)C(C)CCCCCCCC

InChI

InChI=1S/C55H112O11S6/c1-11-16-21-26-31-36-42-49(6)68(57,58)54(67-48-41-47-56,69(59,60)50(7)43-37-32-27-22-17-12-2)55(70(61,62)51(8)44-38-33-28-23-18-13-3,71(63,64)52(9)45-39-34-29-24-19-14-4)72(65,66)53(10)46-40-35-30-25-20-15-5/h49-53,56H,11-48H2,1-10H3