2-propyl-2-(triphenylmethyl)sulfanyl-1,3-dioxane-4,6-dione

Systemtic Name: 2-propyl-2-(triphenylmethyl)sulfanyl-1,3-dioxane-4,6-dione Openeye Name: 2-propyl-2-tritylsulfanyl-1,3-dioxane-4,6-dione CAS Name: 2-propyl-2-[(triphenylmethyl)thio]-1,3-dioxane-4,6-dione IUPAC Name: 2-propyl-2-tritylsulfanyl-1,3-dioxane-4,6-dione Traditional Name: 2-propyl-2-(tritylthio)-1,3-dioxane-4,6-quinone Formula: C26H24O4S MolecularWeight: 432.53136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(OC(=O)CC(=O)O1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1(OC(=O)CC(=O)O1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24O4S/c1-2-18-25(29-23(27)19-24(28)30-25)31-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,2,18-19H2,1H3