2-[3,5,6-trimethyl-4,7-bis(oxidanylidene)-1-benzofuran-2-yl]ethanethioic S-acid

Systemtic Name: 2-[3,5,6-trimethyl-4,7-bis(oxidanylidene)-1-benzofuran-2-yl]ethanethioic S-acid Openeye Name: 2-(3,5,6-trimethyl-4,7-dioxo-benzofuran-2-yl)ethanethioic S-acid CAS Name: 2-(3,5,6-trimethyl-4,7-dioxo-2-benzofuranyl)ethanethioic S-acid IUPAC Name: 2-(3,5,6-trimethyl-4,7-dioxo-1-benzofuran-2-yl)ethanethioic S-acid Traditional Name: 2-(4,7-diketo-3,5,6-trimethyl-benzofuran-2-yl)thioacetic acid Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)C(=C(O2)CC(=O)S)C)C

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)C(=C(O2)CC(=O)S)C)C

InChI

InChI=1S/C13H12O4S/c1-5-6(2)12(16)13-10(11(5)15)7(3)8(17-13)4-9(14)18/h4H2,1-3H3,(H,14,18)