3'-methylsulfanylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-carboxylic acid

Systemtic Name: 3'-methylsulfanylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-carboxylic acid Openeye Name: 3'-methylsulfanylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-carboxylic acid CAS Name: 3'-(methylthio)-1'-spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]carboxylic acid IUPAC Name: 3'-methylsulfanylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-carboxylic acid Traditional Name: 3'-(methylthio)spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-isobenzothiophene]-1'-carboxylic acid Formula: C12H14O2S4 MolecularWeight: 318.49836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=C(S1)C(=O)O)CCCC23SCCS3

Isomeric SMILES

CSC1=C2C(=C(S1)C(=O)O)CCCC23SCCS3

InChI

InChI=1S/C12H14O2S4/c1-15-11-8-7(9(18-11)10(13)14)3-2-4-12(8)16-5-6-17-12/h2-6H2,1H3,(H,13,14)