3-[[1,1-bis(oxidanylidene)-2H-thiochromen-4-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-2H-thiochromen-4-yl]sulfanyl]propanoic acid Openeye Name: 3-[(1,1-dioxo-2H-thiochromen-4-yl)sulfanyl]propanoic acid CAS Name: 3-[(1,1-dioxo-2H-1-benzothiopyran-4-yl)thio]propanoic acid IUPAC Name: 3-[(1,1-dioxo-2H-thiochromen-4-yl)sulfanyl]propanoic acid Traditional Name: 3-[(1,1-diketo-2H-thiochromen-4-yl)thio]propionic acid Formula: C12H12O4S2 MolecularWeight: 284.35128

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2=CC=CC=C2S1(=O)=O)SCCC(=O)O

Isomeric SMILES

C1C=C(C2=CC=CC=C2S1(=O)=O)SCCC(=O)O

InChI

InChI=1S/C12H12O4S2/c13-12(14)5-7-17-10-6-8-18(15,16)11-4-2-1-3-9(10)11/h1-4,6H,5,7-8H2,(H,13,14)