2,2,5-trimethyl-5-[(E)-3-(phenylmethylsulfanyl)prop-2-enyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2,5-trimethyl-5-[(E)-3-(phenylmethylsulfanyl)prop-2-enyl]-1,3-dioxane-4,6-dione Openeye Name: 5-[(E)-3-benzylsulfanylallyl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione CAS Name: 2,2,5-trimethyl-5-[(E)-3-(phenylmethylthio)prop-2-enyl]-1,3-dioxane-4,6-dione IUPAC Name: 5-[(E)-3-benzylsulfanylprop-2-enyl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(E)-3-(benzylthio)allyl]-2,2,5-trimethyl-1,3-dioxane-4,6-quinone Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)(C)CC=CSCC2=CC=CC=C2)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)(C)C/C=C/SCC2=CC=CC=C2)C

InChI

InChI=1S/C17H20O4S/c1-16(2)20-14(18)17(3,15(19)21-16)10-7-11-22-12-13-8-5-4-6-9-13/h4-9,11H,10,12H2,1-3H3/b11-7+