2-(4-methylsulfanylphenyl)-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-dioxane-4,6-dione

Systemtic Name: 2-(4-methylsulfanylphenyl)-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2-(4-methylsulfanylphenyl)-5-[(2-prop-2-ynoxy-1-naphthyl)methylene]-1,3-dioxane-4,6-dione CAS Name: 2-[4-(methylthio)phenyl]-5-[(2-prop-2-ynoxy-1-naphthalenyl)methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2-(4-methylsulfanylphenyl)-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2-[4-(methylthio)phenyl]-5-[(2-propargyloxy-1-naphthyl)methylene]-1,3-dioxane-4,6-quinone Formula: C25H18O5S MolecularWeight: 430.47242

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2OC(=O)C(=CC3=C(C=CC4=CC=CC=C43)OCC#C)C(=O)O2

Isomeric SMILES

CSC1=CC=C(C=C1)C2OC(=O)C(=CC3=C(C=CC4=CC=CC=C43)OCC#C)C(=O)O2

InChI

InChI=1S/C25H18O5S/c1-3-14-28-22-13-10-16-6-4-5-7-19(16)20(22)15-21-23(26)29-25(30-24(21)27)17-8-11-18(31-2)12-9-17/h1,4-13,15,25H,14H2,2H3