5-methyl-2-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 5-methyl-2-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 5-methyl-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylsulfanyl]benzoic acid CAS Name: 5-methyl-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylthio]benzoic acid IUPAC Name: 5-methyl-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(2-keto-5-methyl-1,3-dioxol-4-yl)methylthio]-5-methyl-benzoic acid Formula: C13H12O5S MolecularWeight: 280.29638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=C(OC(=O)O2)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=C(OC(=O)O2)C)C(=O)O

InChI

InChI=1S/C13H12O5S/c1-7-3-4-11(9(5-7)12(14)15)19-6-10-8(2)17-13(16)18-10/h3-5H,6H2,1-2H3,(H,14,15)