3-[[6-chloranyl-1,1-bis(oxidanylidene)-2H-thiochromen-4-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[6-chloranyl-1,1-bis(oxidanylidene)-2H-thiochromen-4-yl]sulfanyl]propanoic acid Openeye Name: 3-[(6-chloro-1,1-dioxo-2H-thiochromen-4-yl)sulfanyl]propanoic acid CAS Name: 3-[(6-chloro-1,1-dioxo-2H-1-benzothiopyran-4-yl)thio]propanoic acid IUPAC Name: 3-[(6-chloro-1,1-dioxo-2H-thiochromen-4-yl)sulfanyl]propanoic acid Traditional Name: 3-[(6-chloro-1,1-diketo-2H-thiochromen-4-yl)thio]propionic acid Formula: C12H11ClO4S2 MolecularWeight: 318.79634

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2=C(S1(=O)=O)C=CC(=C2)Cl)SCCC(=O)O

Isomeric SMILES

C1C=C(C2=C(S1(=O)=O)C=CC(=C2)Cl)SCCC(=O)O

InChI

InChI=1S/C12H11ClO4S2/c13-8-1-2-11-9(7-8)10(4-6-19(11,16)17)18-5-3-12(14)15/h1-2,4,7H,3,5-6H2,(H,14,15)