2,2-dimethyl-5-[4-(triphenylmethyl)sulfanylbutyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[4-(triphenylmethyl)sulfanylbutyl]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-(4-tritylsulfanylbutyl)-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[4-[(triphenylmethyl)thio]butyl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-(4-tritylsulfanylbutyl)-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[4-(tritylthio)butyl]-1,3-dioxane-4,6-quinone Formula: C29H30O4S MolecularWeight: 474.6111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CCCCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CCCCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C29H30O4S/c1-28(2)32-26(30)25(27(31)33-28)20-12-13-21-34-29(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,25H,12-13,20-21H2,1-2H3