3-[[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[(1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)thio]propanoic acid IUPAC Name: 3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(1,1-diketo-2,3-dihydrobenzothiophen-3-yl)thio]propionic acid Formula: C11H12O4S2 MolecularWeight: 272.34058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O4S2/c12-11(13)5-6-16-9-7-17(14,15)10-4-2-1-3-8(9)10/h1-4,9H,5-7H2,(H,12,13)